ethyl 5-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[3-(3-keto-4H-quinoxalin-2-yl)propanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H22N6O4 MolecularWeight: 482.49068

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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)CCC4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CCC4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H22N6O4/c1-2-36-26(35)17-15-27-32(22-13-11-16-7-3-4-8-18(16)29-22)24(17)31-23(33)14-12-21-25(34)30-20-10-6-5-9-19(20)28-21/h3-11,13,15H,2,12,14H2,1H3,(H,30,34)(H,31,33)