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

Systemtic Name: 4-[(3R)-5-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(6-bromo-2-keto-4-phenyl-1H-quinolin-3-yl)-5-phenyl-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C28H21BrN3O4- MolecularWeight: 543.38804

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C28H22BrN3O4/c29-19-11-12-21-20(15-19)26(18-9-5-2-6-10-18)27(28(36)30-21)22-16-23(17-7-3-1-4-8-17)32(31-22)24(33)13-14-25(34)35/h1-12,15-16,23,31H,13-14H2,(H,30,36)(H,34,35)/p-1/t23-/m1/s1