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

Systemtic Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2-phenyl-butan-1-one Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C28H29N3O3/c1-3-22(20-9-5-4-6-10-20)28(32)31-17-15-30(16-18-31)27-23-19-21(33-2)13-14-25(23)34-26-12-8-7-11-24(26)29-27/h4-14,19,22H,3,15-18H2,1-2H3