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

Systemtic Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(9-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenylethanone Traditional Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c1-32-21-12-13-22-25(19-21)33-24-11-6-5-10-23(24)28-27(22)30-15-7-14-29(16-17-30)26(31)18-20-8-3-2-4-9-20/h2-6,8-13,19H,7,14-18H2,1H3