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

Systemtic Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2-phenyl-ethanone Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c1-31-20-11-12-23-21(18-20)26(27-22-9-5-6-10-24(22)32-23)29-15-13-28(14-16-29)25(30)17-19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3