1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanone

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanone Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanone CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-(3-methoxyphenyl)ethanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanone Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2-(3-methoxyphenyl)ethanone Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

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