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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=CC=CC=C3O2)N4CCCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3/c1-20-12-13-23-25(18-20)33-24-11-6-5-10-22(24)27(28-23)30-15-7-14-29(16-17-30)26(31)19-32-21-8-3-2-4-9-21/h2-6,8-13,18H,7,14-17,19H2,1H3