(2-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-(trifluoromethyl)phenyl]methanone

Systemtic Name: (2-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-(trifluoromethyl)phenyl]methanone Openeye Name: (2-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-(trifluoromethyl)phenyl]methanone CAS Name: (2-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-(trifluoromethyl)phenyl]methanone IUPAC Name: (2-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-(trifluoromethyl)phenyl]methanone Traditional Name: (2-chlorophenyl)-[2-[3-(2-dimethylaminoethyl)-5-methylol-1,2,4-triazol-4-yl]-5-(trifluoromethyl)phenyl]methanone Formula: C21H20ClF3N4O2 MolecularWeight: 452.85731

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3Cl)CO

Isomeric SMILES

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3Cl)CO

InChI

InChI=1S/C21H20ClF3N4O2/c1-28(2)10-9-18-26-27-19(12-30)29(18)17-8-7-13(21(23,24)25)11-15(17)20(31)14-5-3-4-6-16(14)22/h3-8,11,30H,9-10,12H2,1-2H3