quinolin-2-ylmethyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: quinolin-2-ylmethyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: 2-quinolylmethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid 2-quinolylmethyl ester Formula: C21H15ClFN3O2 MolecularWeight: 395.814103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=NC3=CC=CC=C3C=C2)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC3=CC=CC=C3C=C2)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15ClFN3O2/c1-13-19(20(22)26(25-13)17-10-7-15(23)8-11-17)21(27)28-12-16-9-6-14-4-2-3-5-18(14)24-16/h2-11H,12H2,1H3