ethyl 5-(pyridin-3-ylcarbonylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(pyridin-3-ylcarbonylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(pyridine-3-carbonylamino)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[oxo(3-pyridinyl)methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(pyridine-3-carbonylamino)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-nicotinamido-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H17N5O3 MolecularWeight: 387.39138

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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)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3/c1-2-29-21(28)16-13-23-26(18-10-9-14-6-3-4-8-17(14)24-18)19(16)25-20(27)15-7-5-11-22-12-15/h3-13H,2H2,1H3,(H,25,27)