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

Systemtic Name: 3-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazine-1-carbonyl]benzonitrile Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

InChI=1S/C28H26N4O2/c1-18-8-10-25-23(13-18)27(30-24-9-7-19(2)14-26(24)34-25)31-11-12-32(20(3)17-31)28(33)22-6-4-5-21(15-22)16-29/h4-10,13-15,20H,11-12,17H2,1-3H3