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

Systemtic Name: 1-[(3S)-5-(4-bromophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-5-(4-bromophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-5-(4-bromophenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-5-(4-bromophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-3-(4-bromophenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]ethanone Formula: C19H15BrN4O MolecularWeight: 395.2526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4O/c1-12(25)24-19(11-17(23-24)13-2-5-15(20)6-3-13)14-4-7-16-18(10-14)22-9-8-21-16/h2-10,19H,11H2,1H3/t19-/m0/s1