1-(chloromethyl)-6-pyridin-2-yl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 1-(chloromethyl)-6-pyridin-2-yl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 1-(chloromethyl)-6-(2-pyridyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 1-(chloromethyl)-6-(2-pyridinyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 1-(chloromethyl)-6-pyridin-2-yl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 1-(chloromethyl)-6-(2-pyridyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C17H11ClF3N5 MolecularWeight: 377.75095

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C=C(C=C3)C(F)(F)F)C(=N1)C4=CC=CC=N4)CCl

Isomeric SMILES

C1C2=NN=C(N2C3=C(C=C(C=C3)C(F)(F)F)C(=N1)C4=CC=CC=N4)CCl

InChI

InChI=1S/C17H11ClF3N5/c18-8-14-24-25-15-9-23-16(12-3-1-2-6-22-12)11-7-10(17(19,20)21)4-5-13(11)26(14)15/h1-7H,8-9H2