[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,3-triazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,3-triazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-(4-fluorophenyl)-5-(4-pyridyl)triazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-(4-fluorophenyl)-5-pyridin-4-yl-1-triazolyl]methyl ester IUPAC Name: [4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(4-fluorophenyl)-5-(4-pyridyl)triazol-1-yl]methyl ester Formula: C19H19FN4O2 MolecularWeight: 354.378163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=CC=NC=C3

InChI

InChI=1S/C19H19FN4O2/c1-19(2,3)18(25)26-12-24-17(14-8-10-21-11-9-14)16(22-23-24)13-4-6-15(20)7-5-13/h4-11H,12H2,1-3H3