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

Systemtic Name: 1-[(3S)-5-(4-bromophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-5-(4-bromophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-5-(4-bromophenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-5-(4-bromophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-3-(4-bromophenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]propan-1-one Formula: C20H17BrN4O MolecularWeight: 409.27918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN4O/c1-2-20(26)25-19(12-17(24-25)13-3-6-15(21)7-4-13)14-5-8-16-18(11-14)23-10-9-22-16/h3-11,19H,2,12H2,1H3/t19-/m0/s1