(3R)-3-azanyl-1-(9-chloranyl-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-(9-chloranyl-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-(9-chloro-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-(9-chloro-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-(9-chloro-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-(9-chloro-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one Formula: C20H17ClF3N5O MolecularWeight: 435.83009

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)Cl)N3C=NN=C3CN1C(=O)CC(CC4=CC(=C(C=C4F)F)F)N

Isomeric SMILES

C1C2=C(C=C(C=C2)Cl)N3C=NN=C3CN1C(=O)C[C@@H](CC4=CC(=C(C=C4F)F)F)N

InChI

InChI=1S/C20H17ClF3N5O/c21-13-2-1-11-8-28(9-19-27-26-10-29(19)18(11)5-13)20(30)6-14(25)3-12-4-16(23)17(24)7-15(12)22/h1-2,4-5,7,10,14H,3,6,8-9,25H2/t14-/m1/s1