ethyl 5-(2-chloranylpropanoylamino)-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(2-chloranylpropanoylamino)-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-(2-chloropropanoylamino)-1-(4,6,8-trimethyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(2-chloro-1-oxopropyl)amino]-1-(4,6,8-trimethyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-chloropropanoylamino)-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-(2-chloropropanoylamino)-1-(4,6,8-trimethyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3/c1-6-29-21(28)16-10-23-26(19(16)25-20(27)14(5)22)17-9-12(3)15-8-11(2)7-13(4)18(15)24-17/h7-10,14H,6H2,1-5H3,(H,25,27)