1-[(3S)-5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3S)-5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-5-(p-tolyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-5-(4-methylphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-3-(p-tolyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]propan-1-one Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)C)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CCC(=O)N1[C@@H](CC(=N1)C2=CC=C(C=C2)C)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H20N4O/c1-3-21(26)25-20(13-18(24-25)15-6-4-14(2)5-7-15)16-8-9-17-19(12-16)23-11-10-22-17/h4-12,20H,3,13H2,1-2H3/t20-/m0/s1