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

Systemtic Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[2-methyl-4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[2-methyl-4-(8-methylbenzo[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(CC2C)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

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