[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C34H29N3O3 MolecularWeight: 527.61236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N3[C@@H](CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C34H29N3O3/c1-3-28-22(2)33(27-15-9-10-16-29(27)35-28)34(39)40-21-32(38)37-31(24-12-5-4-6-13-24)20-30(36-37)26-18-17-23-11-7-8-14-25(23)19-26/h4-19,31H,3,20-21H2,1-2H3/t31-/m0/s1