ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(3-chloroanilino)-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chlorophenyl)carbamoylamino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(3-chlorophenyl)carbamoylamino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H18ClN5O3 MolecularWeight: 435.86302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O3/c1-2-31-21(29)17-13-24-28(19-11-10-14-6-3-4-9-18(14)26-19)20(17)27-22(30)25-16-8-5-7-15(23)12-16/h3-13H,2H2,1H3,(H2,25,27,30)