3-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carbonyl]benzonitrile Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H24N4O2/c1-18-7-9-24-22(14-18)26(29-23-8-6-19(2)15-25(23)33-24)30-10-12-31(13-11-30)27(32)21-5-3-4-20(16-21)17-28/h3-9,14-16H,10-13H2,1-2H3