1-[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-5-(4-ethylphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-3-(4-ethylphenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]ethanone Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)C(=O)C

InChI

InChI=1S/C21H20N4O/c1-3-15-4-6-16(7-5-15)19-13-21(25(24-19)14(2)26)17-8-9-18-20(12-17)23-11-10-22-18/h4-12,21H,3,13H2,1-2H3/t21-/m0/s1