4-[(3R)-5-(4-bromophenyl)-3-(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-5-(4-bromophenyl)-3-(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(4-bromophenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(4-bromophenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(4-bromophenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(4-bromophenyl)-5-(2-keto-8-methyl-1H-quinolin-3-yl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C23H19BrN3O4- MolecularWeight: 481.31866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)C3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)[C@H]3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O4/c1-13-3-2-4-15-11-17(23(31)25-22(13)15)19-12-18(14-5-7-16(24)8-6-14)26-27(19)20(28)9-10-21(29)30/h2-8,11,19H,9-10,12H2,1H3,(H,25,31)(H,29,30)/p-1/t19-/m1/s1