(3R)-3-azanyl-1-[(8R)-8-methyl-2-(trifluoromethyl)-2,3,5,6,8,8a-hexahydro-1H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-[2,4,5-tris(fluoranyl)phenyl]butan-1-one

Systemtic Name: (3R)-3-azanyl-1-[(8R)-8-methyl-2-(trifluoromethyl)-2,3,5,6,8,8a-hexahydro-1H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-[2,4,5-tris(fluoranyl)phenyl]butan-1-one Openeye Name: (3R)-3-amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-2,3,5,6,8,8a-hexahydro-1H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one CAS Name: (3R)-3-amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-2,3,5,6,8,8a-hexahydro-1H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)-1-butanone IUPAC Name: (3R)-3-amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-2,3,5,6,8,8a-hexahydro-1H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one Traditional Name: (3R)-3-amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-2,3,5,6,8,8a-hexahydro-1H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one Formula: C17H21F6N5O MolecularWeight: 425.371959

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2NC(NN2CCN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N)C(F)(F)F

Isomeric SMILES

C[C@@H]1C2NC(NN2CCN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N)C(F)(F)F

InChI

InChI=1S/C17H21F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10,15-16,25-26H,2-4,6,24H2,1H3/t8-,10-,15?,16?/m1/s1