3-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yl-1,2,3-triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one

Systemtic Name: 3-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yl-1,2,3-triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one Openeye Name: 3-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-(3-pyridyl)triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one CAS Name: 3-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-(3-pyridinyl)-4-triazolyl]-1-(2-chlorophenyl)-2-propyn-1-one IUPAC Name: 3-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yltriazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one Traditional Name: 3-[1-[2,5-bis(trifluoromethyl)benzyl]-5-(3-pyridyl)triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one Formula: C25H13ClF6N4O MolecularWeight: 534.840339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C#CC2=C(N(N=N2)CC3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CN=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C#CC2=C(N(N=N2)CC3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CN=CC=C4)Cl

InChI

InChI=1S/C25H13ClF6N4O/c26-20-6-2-1-5-18(20)22(37)10-9-21-23(15-4-3-11-33-13-15)36(35-34-21)14-16-12-17(24(27,28)29)7-8-19(16)25(30,31)32/h1-8,11-13H,14H2