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

Systemtic Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-[(5S)-5-(4-methoxyphenyl)-3-phenyl-3-pyrazolin-1-yl]ethyl] ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)COC(=O)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4/c1-30-20-11-9-18(10-12-20)22-14-21(17-6-3-2-4-7-17)26-27(22)23(28)16-31-24(29)19-8-5-13-25-15-19/h2-15,22,26H,16H2,1H3/t22-/m0/s1