[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-[5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-[5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-keto-2-[3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C31H30N2O4/c34-29(19-37-31(36)26-16-24-11-6-12-25(17-26)30(24)35)33-28(21-8-2-1-3-9-21)18-27(32-33)23-14-13-20-7-4-5-10-22(20)15-23/h1-5,7-10,13-15,24-26,28H,6,11-12,16-19H2