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

Systemtic Name: 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[5-(o-tolyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[5-(2-methylphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[3-(o-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=CC=C2C)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CCCC(=O)N1C(CC(=N1)C2=CC=CC=C2C)C3=CC4=NC=CN=C4C=C3

InChI

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