4-[(3S)-5-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-5-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(6-bromo-2-keto-4-phenyl-1H-quinolin-3-yl)-5-(4-methoxyphenyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C29H23BrN3O5- MolecularWeight: 573.41402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)CCC(=O)[O-])C3=C(C4=C(C=CC(=C4)Br)NC3=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CCC(=O)[O-])C3=C(C4=C(C=CC(=C4)Br)NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H24BrN3O5/c1-38-20-10-7-17(8-11-20)24-16-23(32-33(24)25(34)13-14-26(35)36)28-27(18-5-3-2-4-6-18)21-15-19(30)9-12-22(21)31-29(28)37/h2-12,15-16,24,32H,13-14H2,1H3,(H,31,37)(H,35,36)/p-1/t24-/m0/s1