[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-chloranylpyridine-4-carboxylate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-chloranylpyridine-4-carboxylate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C18H16ClN3O2 MolecularWeight: 341.79154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC(=NC=C3)Cl)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC(=NC=C3)Cl)C

InChI

InChI=1S/C18H16ClN3O2/c1-12-9-13(2)22(21-12)16-5-3-14(4-6-16)11-24-18(23)15-7-8-20-17(19)10-15/h3-10H,11H2,1-2H3