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

Systemtic Name: ethyl 5-(2-ethylbutanoylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-(2-ethylbutanoylamino)-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(2-ethyl-1-oxobutyl)amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-ethylbutanoylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-(2-ethylbutanoylamino)-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-5-15(6-2)21(27)25-20-17(22(28)29-7-3)13-23-26(20)19-12-14(4)16-10-8-9-11-18(16)24-19/h8-13,15H,5-7H2,1-4H3,(H,25,27)