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

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-phenyl-butan-1-one Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-phenyl-butan-1-one CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-phenylbutan-1-one Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-phenyl-butan-1-one Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C28H29N3O2/c1-2-22(21-11-4-3-5-12-21)28(32)31-18-10-17-30(19-20-31)27-23-13-6-8-15-25(23)33-26-16-9-7-14-24(26)29-27/h3-9,11-16,22H,2,10,17-20H2,1H3