2-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]benzonitrile CAS Name: 2-[[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 2-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)methyl]benzonitrile Formula: C25H22N4O MolecularWeight: 394.46838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C25H22N4O/c26-17-19-7-1-2-8-20(19)18-28-13-15-29(16-14-28)25-21-9-3-5-11-23(21)30-24-12-6-4-10-22(24)27-25/h1-12H,13-16,18H2