1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[2-methyl-4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2-phenyl-ethanone Formula: C27H27N3O2 MolecularWeight: 425.52218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

InChI=1S/C27H27N3O2/c1-19-12-13-24-22(16-19)27(28-23-10-6-7-11-25(23)32-24)29-14-15-30(20(2)18-29)26(31)17-21-8-4-3-5-9-21/h3-13,16,20H,14-15,17-18H2,1-2H3