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

Systemtic Name: 1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(2-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(2-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]-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)N2CCN(CC2)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)C)OC5=CC=CC=C53

InChI

InChI=1S/C28H29N3O2/c1-3-22(21-9-5-4-6-10-21)28(32)31-17-15-30(16-18-31)27-23-11-7-8-12-25(23)33-26-19-20(2)13-14-24(26)29-27/h4-14,19,22H,3,15-18H2,1-2H3