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

Systemtic Name: 2-methyl-1-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 2-methyl-1-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 2-methyl-1-[(3S)-5-(3-nitrophenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 2-methyl-1-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 2-methyl-1-[(5S)-3-(3-nitrophenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]propan-1-one Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(CC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3/c1-13(2)21(27)25-20(15-6-7-17-19(11-15)23-9-8-22-17)12-18(24-25)14-4-3-5-16(10-14)26(28)29/h3-11,13,20H,12H2,1-2H3/t20-/m0/s1