methyl 1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[2-[(3S)-3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[2-[(3S)-3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 6-keto-1-[2-keto-2-[(5S)-5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethyl]nicotinic acid methyl ester Formula: C29H25N3O5 MolecularWeight: 495.5259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C=C(C=CC3=O)C(=O)OC)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)CN3C=C(C=CC3=O)C(=O)OC)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H25N3O5/c1-36-24-12-9-20(10-13-24)26-16-25(22-8-7-19-5-3-4-6-21(19)15-22)30-32(26)28(34)18-31-17-23(29(35)37-2)11-14-27(31)33/h3-15,17,26H,16,18H2,1-2H3/t26-/m0/s1