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

Systemtic Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-phenoxy-ethanone Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)COC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C28H29N3O4/c1-19-9-12-24-26(15-19)35-25-16-22(33-3)10-11-23(25)28(29-24)30-13-14-31(20(2)17-30)27(32)18-34-21-7-5-4-6-8-21/h4-12,15-16,20H,13-14,17-18H2,1-3H3