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

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

Isomeric SMILES

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

InChI

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