1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

InChI=1S/C29H31N3O2/c1-3-23(22-10-5-4-6-11-22)29(33)32-17-9-16-31(18-19-32)28-24-20-21(2)14-15-26(24)34-27-13-8-7-12-25(27)30-28/h4-8,10-15,20,23H,3,9,16-19H2,1-2H3