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

Systemtic Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-phenyl-butan-1-one Formula: C29H31N3O3 MolecularWeight: 469.57474

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O3/c1-4-23(21-10-6-5-7-11-21)29(33)32-17-16-31(19-20(32)2)28-24-18-22(34-3)14-15-26(24)35-27-13-9-8-12-25(27)30-28/h5-15,18,20,23H,4,16-17,19H2,1-3H3