1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Formula: C29H31N3O3 MolecularWeight: 469.57474

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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=CC=C5OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

InChI=1S/C29H31N3O3/c1-3-22(21-11-5-4-6-12-21)29(33)32-18-10-17-31(19-20-32)28-23-13-9-16-26(34-2)27(23)35-25-15-8-7-14-24(25)30-28/h4-9,11-16,22H,3,10,17-20H2,1-2H3