ethyl 1-methyl-5-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[2-(4-methyl-2-oxo-1-quinolyl)butanoylamino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[2-(4-methyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[2-(4-methyl-2-oxoquinolin-1-yl)butanoylamino]pyrazole-4-carboxylate Traditional Name: 5-[2-(2-keto-4-methyl-1-quinolyl)butanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C3=CC=CC=C3C(=CC2=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C3=CC=CC=C3C(=CC2=O)C

InChI

InChI=1S/C21H24N4O4/c1-5-16(25-17-10-8-7-9-14(17)13(3)11-18(25)26)20(27)23-19-15(12-22-24(19)4)21(28)29-6-2/h7-12,16H,5-6H2,1-4H3,(H,23,27)