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

Systemtic Name: ethyl 5-(2-ethylbutanoylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(2-ethylbutanoylamino)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(2-ethyl-1-oxobutyl)amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-ethylbutanoylamino)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(2-ethylbutanoylamino)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C(=O)OCC

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C(=O)OCC

InChI

InChI=1S/C21H24N4O3/c1-4-14(5-2)20(26)24-19-16(21(27)28-6-3)13-22-25(19)18-12-11-15-9-7-8-10-17(15)23-18/h7-14H,4-6H2,1-3H3,(H,24,26)