(3R)-3-azanyl-1-(1-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one Formula: C24H26F3N5O MolecularWeight: 457.49135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C2N1C3=CC=CC=C3CN(C2)C(=O)CC(CC4=CC(=C(C=C4F)F)F)N

Isomeric SMILES

CC(C)(C)C1=NN=C2N1C3=CC=CC=C3CN(C2)C(=O)C[C@@H](CC4=CC(=C(C=C4F)F)F)N

InChI

InChI=1S/C24H26F3N5O/c1-24(2,3)23-30-29-21-13-31(12-14-6-4-5-7-20(14)32(21)23)22(33)10-16(28)8-15-9-18(26)19(27)11-17(15)25/h4-7,9,11,16H,8,10,12-13,28H2,1-3H3/t16-/m1/s1