[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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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)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=C(N=CC=C3)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4/c1-35-22-13-11-21(12-14-22)25-18-24(20-8-3-2-4-9-20)30-32(25)26(33)19-36-28(34)23-10-7-15-29-27(23)31-16-5-6-17-31/h2-4,7-15,25H,5-6,16-19H2,1H3