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

Systemtic Name: 2-methyl-1-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 2-methyl-1-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 2-methyl-1-[(3S)-5-phenyl-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 2-methyl-1-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 2-methyl-1-[(5S)-3-phenyl-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:

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

Isomeric SMILES

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

InChI

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