2-fluoranyl-6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine

Systemtic Name: 2-fluoranyl-6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine Openeye Name: 2-fluoro-6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine CAS Name: 2-fluoro-6-[(3S)-3-(2-methoxyethyl)-1-piperazinyl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 2-fluoro-6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine Traditional Name: 2-fluoro-6-[(3S)-3-(2-methoxyethyl)piperazino]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine Formula: C21H22F4N4O MolecularWeight: 422.419193

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1CN(CCN1)C2=NC3=C(C=C(C=C3)F)NC4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

COCC[C@H]1CN(CCN1)C2=NC3=C(C=C(C=C3)F)NC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H22F4N4O/c1-30-9-6-15-12-29(8-7-26-15)20-16-10-13(21(23,24)25)2-4-17(16)27-19-11-14(22)3-5-18(19)28-20/h2-5,10-11,15,26-27H,6-9,12H2,1H3/t15-/m0/s1