3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazine-1-carbonyl)benzonitrile CAS Name: 3-[[4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazine-1-carbonyl)benzonitrile Traditional Name: 3-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazine-1-carbonyl)benzonitrile Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C26H22N4O2/c1-18-17-29(13-14-30(18)26(31)20-8-6-7-19(15-20)16-27)25-21-9-2-4-11-23(21)32-24-12-5-3-10-22(24)28-25/h2-12,15,18H,13-14,17H2,1H3