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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)COC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

InChI

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