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

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

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

InChI

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