ethyl 5-(2-chloranylpropanoylamino)-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(2-chloranylpropanoylamino)-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-(2-chloropropanoylamino)-1-(4,8-dimethyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(2-chloro-1-oxopropyl)amino]-1-(4,8-dimethyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-chloropropanoylamino)-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-(2-chloropropanoylamino)-1-(4,8-dimethyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3/c1-5-28-20(27)15-10-22-25(18(15)24-19(26)13(4)21)16-9-12(3)14-8-6-7-11(2)17(14)23-16/h6-10,13H,5H2,1-4H3,(H,24,26)