3-[(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 3-[(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)carbonyl]benzenecarbonitrile Openeye Name: 3-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepane-1-carbonyl)benzonitrile CAS Name: 3-[[4-(6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 3-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepane-1-carbonyl)benzonitrile Traditional Name: 3-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepane-1-carbonyl)benzonitrile Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C26H22N4O2/c27-18-19-7-5-8-20(17-19)26(31)30-14-6-13-29(15-16-30)25-21-9-1-3-11-23(21)32-24-12-4-2-10-22(24)28-25/h1-5,7-12,17H,6,13-16H2