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

Systemtic Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-methoxyethanone IUPAC Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-methoxy-ethanone Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COC)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1C(=O)COC)C2=NC3=C(C=C(C=C3)C)OC4=C2C=C(C=C4)C

InChI

InChI=1S/C23H27N3O3/c1-15-6-8-20-18(11-15)23(24-19-7-5-16(2)12-21(19)29-20)25-9-10-26(17(3)13-25)22(27)14-28-4/h5-8,11-12,17H,9-10,13-14H2,1-4H3