5-oxidanylidene-5-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)pentanoic acid

Systemtic Name: 5-oxidanylidene-5-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)pentanoic acid Openeye Name: 5-oxo-5-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)pentanoic acid CAS Name: 5-oxo-5-[5-phenyl-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]pentanoic acid IUPAC Name: 5-oxo-5-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)pentanoic acid Traditional Name: 5-keto-5-(3-phenyl-5-quinoxalin-6-yl-2-pyrazolin-1-yl)valeric acid Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C22H20N4O3/c27-21(7-4-8-22(28)29)26-20(14-18(25-26)15-5-2-1-3-6-15)16-9-10-17-19(13-16)24-12-11-23-17/h1-3,5-6,9-13,20H,4,7-8,14H2,(H,28,29)