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

Systemtic Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2-phenyl-butan-1-one Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

InChI

InChI=1S/C29H31N3O2/c1-4-23(22-8-6-5-7-9-22)29(33)32-16-14-31(15-17-32)28-24-18-20(2)11-13-26(24)34-27-19-21(3)10-12-25(27)30-28/h5-13,18-19,23H,4,14-17H2,1-3H3