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

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-phenyl-butan-1-one Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-phenyl-butan-1-one CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-phenylbutan-1-one Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2-phenyl-butan-1-one Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C27H27N3O2/c1-2-21(20-10-4-3-5-11-20)27(31)30-18-16-29(17-19-30)26-22-12-6-8-14-24(22)32-25-15-9-7-13-23(25)28-26/h3-15,21H,2,16-19H2,1H3