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

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-2-(4-fluorophenyl)ethanone Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-2-(4-fluorophenyl)ethanone CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-(4-fluorophenyl)ethanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazino)-2-(4-fluorophenyl)ethanone Formula: C26H24FN3O2 MolecularWeight: 429.486063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN3O2/c1-18-17-29(14-15-30(18)25(31)16-19-10-12-20(27)13-11-19)26-21-6-2-4-8-23(21)32-24-9-5-3-7-22(24)28-26/h2-13,18H,14-17H2,1H3