[1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid 1-[(5-keto-1-phenyl-3-pyrazolin-3-yl)carbamoyl]propyl ester Formula: C22H19N5O4 MolecularWeight: 417.41736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H19N5O4/c1-2-18(31-22(30)17-13-23-15-10-6-7-11-16(15)24-17)21(29)25-19-12-20(28)27(26-19)14-8-4-3-5-9-14/h3-13,18,26H,2H2,1H3,(H,25,29)