3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]benzonitrile CAS Name: 3-[[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 3-[(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(=C2)C#N)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

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