1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-(3-methoxyphenyl)ethanone

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-(3-methoxyphenyl)ethanone Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-(3-methoxyphenyl)ethanone CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-(3-methoxyphenyl)ethanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-(3-methoxyphenyl)ethanone Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-(3-methoxyphenyl)ethanone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

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