ethyl 5-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-methyl-2-oxo-1-quinolyl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-methyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(2-keto-4-methyl-1-quinolyl)butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C26H26N4O4/c1-4-21(29-22-14-10-9-13-19(22)17(3)15-23(29)31)25(32)28-24-20(26(33)34-5-2)16-27-30(24)18-11-7-6-8-12-18/h6-16,21H,4-5H2,1-3H3,(H,28,32)