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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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