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

Systemtic Name: 1-[(3S)-5-(4-bromophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-5-(4-bromophenyl)-3-(6-quinolyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-5-(4-bromophenyl)-3-(6-quinolinyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-5-(4-bromophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-3-(4-bromophenyl)-5-(6-quinolyl)-2-pyrazolin-1-yl]ethanone Formula: C20H16BrN3O MolecularWeight: 394.26454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CC(=O)N1[C@@H](CC(=N1)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C20H16BrN3O/c1-13(25)24-20(12-19(23-24)14-4-7-17(21)8-5-14)16-6-9-18-15(11-16)3-2-10-22-18/h2-11,20H,12H2,1H3/t20-/m0/s1