ethyl 1-phenyl-5-[2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-[2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[2-(4,6,8-trimethyl-2-oxo-1-quinolyl)butanoylamino]pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-2-(4,6,8-trimethyl-2-oxo-1-quinolinyl)butyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanoylamino]pyrazole-4-carboxylate Traditional Name: 5-[2-(2-keto-4,6,8-trimethyl-1-quinolyl)butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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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=CC(=CC(=C43)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=O)C=C(C4=CC(=CC(=C43)C)C)C

InChI

InChI=1S/C28H30N4O4/c1-6-23(31-24(33)15-18(4)21-14-17(3)13-19(5)25(21)31)27(34)30-26-22(28(35)36-7-2)16-29-32(26)20-11-9-8-10-12-20/h8-16,23H,6-7H2,1-5H3,(H,30,34)