(3R)-3-azanyl-1-(1-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one Formula: C23H22F3N5O MolecularWeight: 441.44889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C3N2C4=CC=CC=C4CN(C3)C(=O)CC(CC5=CC(=C(C=C5F)F)F)N

Isomeric SMILES

C1CC1C2=NN=C3N2C4=CC=CC=C4CN(C3)C(=O)C[C@@H](CC5=CC(=C(C=C5F)F)F)N

InChI

InChI=1S/C23H22F3N5O/c24-17-10-19(26)18(25)8-15(17)7-16(27)9-22(32)30-11-14-3-1-2-4-20(14)31-21(12-30)28-29-23(31)13-5-6-13/h1-4,8,10,13,16H,5-7,9,11-12,27H2/t16-/m1/s1