ethyl 5-[(4-chlorophenyl)carbamoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-chlorophenyl)carbamoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-chlorophenyl)carbamoylamino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(4-chloroanilino)-oxomethyl]amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chlorophenyl)carbamoylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[(4-chlorophenyl)carbamoylamino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H20ClN5O3 MolecularWeight: 449.8896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN5O3/c1-3-32-22(30)18-13-25-29(20-12-14(2)17-6-4-5-7-19(17)27-20)21(18)28-23(31)26-16-10-8-15(24)9-11-16/h4-13H,3H2,1-2H3,(H2,26,28,31)