[2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(3R)-5-(2-naphthyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[(3R)-5-(2-naphthalenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[(5R)-3-(2-naphthyl)-5-phenyl-3-pyrazolin-1-yl]ethyl] ester Formula: C27H20BrN3O3 MolecularWeight: 514.37

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C=C(NN2C(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H20BrN3O3/c28-23-13-22(15-29-16-23)27(33)34-17-26(32)31-25(19-7-2-1-3-8-19)14-24(30-31)21-11-10-18-6-4-5-9-20(18)12-21/h1-16,25,30H,17H2/t25-/m1/s1