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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)C(=O)C(C)C

InChI

InChI=1S/C22H22N4O/c1-14(2)22(27)26-21(13-19(25-26)16-6-4-15(3)5-7-16)17-8-9-18-20(12-17)24-11-10-23-18/h4-12,14,21H,13H2,1-3H3/t21-/m0/s1