(3R)-3-azanyl-1-[8,9-bis(fluoranyl)-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-[8,9-bis(fluoranyl)-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-(8,9-difluoro-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-(8,9-difluoro-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-(8,9-difluoro-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-(8,9-difluoro-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one Formula: C20H16F5N5O MolecularWeight: 437.365956

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2N3C=NN=C3CN1C(=O)CC(CC4=CC(=C(C=C4F)F)F)N)F)F

Isomeric SMILES

C1C2=CC(=C(C=C2N3C=NN=C3CN1C(=O)C[C@@H](CC4=CC(=C(C=C4F)F)F)N)F)F

InChI

InChI=1S/C20H16F5N5O/c21-13-5-16(24)14(22)2-10(13)1-12(26)4-20(31)29-7-11-3-15(23)17(25)6-18(11)30-9-27-28-19(30)8-29/h2-3,5-6,9,12H,1,4,7-8,26H2/t12-/m1/s1