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

Systemtic Name: 1-[(3S)-5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[(3S)-5-(p-tolyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[(3S)-5-(4-methylphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[(3S)-5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[(5S)-3-(p-tolyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butan-1-one Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O/c1-3-4-22(27)26-21(14-19(25-26)16-7-5-15(2)6-8-16)17-9-10-18-20(13-17)24-12-11-23-18/h5-13,21H,3-4,14H2,1-2H3/t21-/m0/s1