ethyl 5-[2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4,8-dimethyl-2-oxo-1-quinolyl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4,8-dimethyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(2-keto-4,8-dimethyl-1-quinolyl)butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

InChI

InChI=1S/C27H28N4O4/c1-5-22(30-23(32)15-18(4)20-14-10-11-17(3)24(20)30)26(33)29-25-21(27(34)35-6-2)16-28-31(25)19-12-8-7-9-13-19/h7-16,22H,5-6H2,1-4H3,(H,29,33)