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

Systemtic Name: 1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2-phenoxy-ethanone Formula: C26H25N3O3 MolecularWeight: 427.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c1-19-11-12-22-24(17-19)32-23-10-6-5-9-21(23)26(27-22)29-15-13-28(14-16-29)25(30)18-31-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3