3-[(6-oxidanylidene-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(6-oxidanylidene-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(6-oxo-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzonitrile CAS Name: 3-[[6-oxo-10-(1-piperazinyl)-5-benzo[b][1,4]benzoxazepinyl]methyl]benzonitrile IUPAC Name: 3-[(6-oxo-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-5-yl)methyl]benzonitrile Traditional Name: 3-[(6-keto-10-piperazino-benzo[b][1,4]benzoxazepin-5-yl)methyl]benzonitrile Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC4=CC=CC=C4N(C3=O)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC4=CC=CC=C4N(C3=O)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H22N4O2/c26-16-18-5-3-6-19(15-18)17-29-21-8-1-2-10-23(21)31-24-20(25(29)30)7-4-9-22(24)28-13-11-27-12-14-28/h1-10,15,27H,11-14,17H2