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

Systemtic Name: [6-phenyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanamine Openeye Name: [6-phenyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanamine CAS Name: [6-phenyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanamine IUPAC Name: [6-phenyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanamine Traditional Name: [6-phenyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methylamine Formula: C18H14F3N5 MolecularWeight: 357.33247

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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=C4)CN

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N5/c19-18(20,21)12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)23-10-16-25-24-15(9-22)26(14)16/h1-8H,9-10,22H2