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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C27H27N3O3/c1-19-18-29(15-16-30(19)26(31)17-20-11-13-21(32-2)14-12-20)27-22-7-3-5-9-24(22)33-25-10-6-4-8-23(25)28-27/h3-14,19H,15-18H2,1-2H3