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

Systemtic Name: ethyl 5-[2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4,8-dimethyl-2-oxo-1-quinolyl)butanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4,8-dimethyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[2-(2-keto-4,8-dimethyl-1-quinolyl)butanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=O)C=C(C3=C2C(=CC=C3)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=O)C=C(C3=C2C(=CC=C3)C)C

InChI

InChI=1S/C22H26N4O4/c1-6-17(21(28)24-20-16(12-23-25(20)5)22(29)30-7-2)26-18(27)11-14(4)15-10-8-9-13(3)19(15)26/h8-12,17H,6-7H2,1-5H3,(H,24,28)