1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(8-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-phenoxyethanone IUPAC Name: 1-[4-(8-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(8-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4/c1-20-9-11-24-26(17-20)35-25-12-10-22(33-2)18-23(25)28(29-24)31-14-6-13-30(15-16-31)27(32)19-34-21-7-4-3-5-8-21/h3-5,7-12,17-18H,6,13-16,19H2,1-2H3