1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-2-phenyl-ethanone

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-2-phenyl-ethanone Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-2-phenyl-ethanone CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazin-1-yl)-2-phenylethanone Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazino)-2-phenyl-ethanone Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C26H25N3O2/c1-19-18-28(15-16-29(19)25(30)17-20-9-3-2-4-10-20)26-21-11-5-7-13-23(21)31-24-14-8-6-12-22(24)27-26/h2-14,19H,15-18H2,1H3