3-fluoranyl-6-[(3S)-3-(3-methoxypropyl)-4-methyl-piperazin-1-yl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-fluoranyl-6-[(3S)-3-(3-methoxypropyl)-4-methyl-piperazin-1-yl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-fluoro-6-[(3S)-3-(3-methoxypropyl)-4-methyl-piperazin-1-yl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-fluoro-6-[(3S)-3-(3-methoxypropyl)-4-methyl-1-piperazinyl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-fluoro-6-[(3S)-3-(3-methoxypropyl)-4-methylpiperazin-1-yl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-fluoro-6-[(3S)-3-(3-methoxypropyl)-4-methyl-piperazino]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine Formula: C23H26F4N4O MolecularWeight: 450.472353

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1CCCOC)C2=C3C=C(C=CC3=NC4=C(N2)C=C(C=C4)F)C(F)(F)F

Isomeric SMILES

CN1CCN(C[C@@H]1CCCOC)C2=C3C=C(C=CC3=NC4=C(N2)C=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C23H26F4N4O/c1-30-9-10-31(14-17(30)4-3-11-32-2)22-18-12-15(23(25,26)27)5-7-19(18)28-20-8-6-16(24)13-21(20)29-22/h5-8,12-13,17,29H,3-4,9-11,14H2,1-2H3/t17-/m0/s1