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

Systemtic Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-phenyl-butan-1-one Formula: C30H33N3O2 MolecularWeight: 467.60192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

InChI=1S/C30H33N3O2/c1-5-24(23-9-7-6-8-10-23)30(34)33-16-15-32(19-22(33)4)29-25-17-20(2)12-14-27(25)35-28-18-21(3)11-13-26(28)31-29/h6-14,17-18,22,24H,5,15-16,19H2,1-4H3