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

Systemtic Name: [6-pyridin-2-yl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanamine Openeye Name: [6-(2-pyridyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanamine CAS Name: [6-(2-pyridinyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanamine IUPAC Name: [6-pyridin-2-yl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanamine Traditional Name: [6-(2-pyridyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methylamine Formula: C17H13F3N6 MolecularWeight: 358.32053

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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)CN

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N6/c18-17(19,20)10-4-5-13-11(7-10)16(12-3-1-2-6-22-12)23-9-15-25-24-14(8-21)26(13)15/h1-7H,8-9,21H2