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

Systemtic Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-phenyl-butan-1-one Formula: C30H33N3O3 MolecularWeight: 483.60132

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O3/c1-5-24(22-9-7-6-8-10-22)30(34)33-16-15-32(19-21(33)3)29-25-18-23(35-4)12-14-27(25)36-28-17-20(2)11-13-26(28)31-29/h6-14,17-18,21,24H,5,15-16,19H2,1-4H3