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

Systemtic Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-phenyl-ethanone Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

InChI=1S/C28H29N3O2/c1-19-10-12-25-23(15-19)28(29-24-11-9-20(2)16-26(24)33-25)30-13-14-31(21(3)18-30)27(32)17-22-7-5-4-6-8-22/h4-12,15-16,21H,13-14,17-18H2,1-3H3