ethyl 5-(3-methylbutanoylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(3-methylbutanoylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(3-methylbutanoylamino)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(3-methyl-1-oxobutyl)amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-methylbutanoylamino)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(isovalerylamino)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C20H22N4O3/c1-4-27-20(26)15-12-21-24(19(15)23-18(25)11-13(2)3)17-10-9-14-7-5-6-8-16(14)22-17/h5-10,12-13H,4,11H2,1-3H3,(H,23,25)