(3R)-3-azanyl-1-[1-(trifluoromethyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]-4-[2,4,5-tris(fluoranyl)phenyl]butan-1-one

Systemtic Name: (3R)-3-azanyl-1-[1-(trifluoromethyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]-4-[2,4,5-tris(fluoranyl)phenyl]butan-1-one Openeye Name: (3R)-3-amino-1-[1-(trifluoromethyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one CAS Name: (3R)-3-amino-1-[1-(trifluoromethyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]-4-(2,4,5-trifluorophenyl)-1-butanone IUPAC Name: (3R)-3-amino-1-[1-(trifluoromethyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one Traditional Name: (3R)-3-amino-1-[1-(trifluoromethyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one Formula: C21H17F6N5O MolecularWeight: 469.382999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N3C(=NN=C3C(F)(F)F)CN1C(=O)CC(CC4=CC(=C(C=C4F)F)F)N

Isomeric SMILES

C1C2=CC=CC=C2N3C(=NN=C3C(F)(F)F)CN1C(=O)C[C@@H](CC4=CC(=C(C=C4F)F)F)N

InChI

InChI=1S/C21H17F6N5O/c22-14-8-16(24)15(23)6-12(14)5-13(28)7-19(33)31-9-11-3-1-2-4-17(11)32-18(10-31)29-30-20(32)21(25,26)27/h1-4,6,8,13H,5,7,9-10,28H2/t13-/m1/s1