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

Systemtic Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(2,8-dimethyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(2,8-dimethylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2-phenoxy-ethanone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c1-19-9-11-24-22(16-19)27(28-23-10-8-20(2)17-25(23)33-24)30-14-12-29(13-15-30)26(31)18-32-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3