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

Systemtic Name: 5-[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-5-(4-methoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[(5S)-3-(4-methoxyphenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]valerate Formula: C23H21N4O4- MolecularWeight: 417.43724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C23H22N4O4/c1-31-17-8-5-15(6-9-17)19-14-21(27(26-19)22(28)3-2-4-23(29)30)16-7-10-18-20(13-16)25-12-11-24-18/h5-13,21H,2-4,14H2,1H3,(H,29,30)/p-1/t21-/m0/s1