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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O/c1-2-6-21(26)25-20(14-18(24-25)15-7-4-3-5-8-15)16-9-10-17-19(13-16)23-12-11-22-17/h3-5,7-13,20H,2,6,14H2,1H3/t20-/m0/s1