[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[(3R)-3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[(3R)-3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethyl] ester Formula: C28H22ClN3O4 MolecularWeight: 499.94498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=C(N=CC=C3)Cl)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)COC(=O)C3=C(N=CC=C3)Cl)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H22ClN3O4/c1-35-22-12-10-19(11-13-22)25-16-24(21-9-8-18-5-2-3-6-20(18)15-21)31-32(25)26(33)17-36-28(34)23-7-4-14-30-27(23)29/h2-15,25H,16-17H2,1H3/t25-/m1/s1