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

Systemtic Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenylethanone Traditional Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Formula: C28H29N3O3 MolecularWeight: 455.54816

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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)N4CCCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-20-9-12-24-26(17-20)34-25-19-22(33-2)10-11-23(25)28(29-24)31-14-6-13-30(15-16-31)27(32)18-21-7-4-3-5-8-21/h3-5,7-12,17,19H,6,13-16,18H2,1-2H3