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

Systemtic Name: 1-[(3S)-5-(4-bromophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methyl-propan-1-one Openeye Name: 1-[(3S)-5-(4-bromophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methyl-propan-1-one CAS Name: 1-[(3S)-5-(4-bromophenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-2-methyl-1-propanone IUPAC Name: 1-[(3S)-5-(4-bromophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methylpropan-1-one Traditional Name: 1-[(5S)-3-(4-bromophenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]-2-methyl-propan-1-one Formula: C21H19BrN4O MolecularWeight: 423.30576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O/c1-13(2)21(27)26-20(12-18(25-26)14-3-6-16(22)7-4-14)15-5-8-17-19(11-15)24-10-9-23-17/h3-11,13,20H,12H2,1-2H3/t20-/m0/s1