6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methyl-3-pyri...
C21H25N3O2
720690-73-3 Copyright (C) 2025 ACS
 26 29  0  0  0  0  0  0  0  0999 V2000
   11.0926    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4273    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7610    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4273    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0946    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0915    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0915    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4251    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3861    1.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7589    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4262    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4262    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7599    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7599    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0937    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0937    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889    4.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889    1.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 21  2  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
> <cas.rn>
720690-73-3

> <ca.index.name>
3-Pyridinecarboxamide, 6-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methyl-

> <molecular.formula>
C21H25N3O2

> <smiles.canonical>
O=C(NC)C1=CN=C(OC2=CC=C3C(=C2)CCN(CC3)C4CCC4)C=C1

> <molecular.weight>
351.44

> <boiling.point.predicted>
545.031±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.196±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.262±0.46    Most Acidic Temp: 25 °C

$$$$
