quinolin-8-ylmethyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: quinolin-8-ylmethyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: 8-quinolylmethyl 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid 8-quinolylmethyl ester Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=CC3=C2N=CC=C3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=CC3=C2N=CC=C3)Cl)CC(C)C

InChI

InChI=1S/C19H20ClN3O2/c1-12(2)10-23-18(20)16(13(3)22-23)19(24)25-11-15-7-4-6-14-8-5-9-21-17(14)15/h4-9,12H,10-11H2,1-3H3