5-oxidanylidene-5-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]pentanoate

Systemtic Name: 5-oxidanylidene-5-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]pentanoate Openeye Name: 5-oxo-5-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]pentanoate CAS Name: 5-oxo-5-[(3S)-5-phenyl-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]pentanoate IUPAC Name: 5-oxo-5-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]pentanoate Traditional Name: 5-keto-5-[(5S)-3-phenyl-5-quinoxalin-6-yl-2-pyrazolin-1-yl]valerate Formula: C22H19N4O3- MolecularWeight: 387.41126

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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

C1[C@H](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)/p-1/t20-/m0/s1