1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)piperazino]-2-phenoxy-ethanone Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4/c1-19-8-11-23-25(16-19)34-24-17-21(32-2)9-10-22(24)27(28-23)30-14-12-29(13-15-30)26(31)18-33-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3