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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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