4-[(3R)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(p-tolyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(p-tolyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C30H25BrN3O3- MolecularWeight: 555.4418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C=C(NN2C(=O)CCC(=O)[O-])C3=C(N=C4C=CC(=CC4=C3C5=CC=CC=C5)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C=C(NN2C(=O)CCC(=O)[O-])C3=C(N=C4C=CC(=CC4=C3C5=CC=CC=C5)Br)C

InChI

InChI=1S/C30H26BrN3O3/c1-18-8-10-20(11-9-18)26-17-25(33-34(26)27(35)14-15-28(36)37)29-19(2)32-24-13-12-22(31)16-23(24)30(29)21-6-4-3-5-7-21/h3-13,16-17,26,33H,14-15H2,1-2H3,(H,36,37)/p-1/t26-/m1/s1