[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic 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-oxo-3,4-dihydro-1H-quinoline-6-carboxylate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-carboxylic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C28H25N3O5 MolecularWeight: 483.5152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC4=C(C=C3)NC(=O)CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC4=C(C=C3)NC(=O)CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O5/c1-35-22-11-7-19(8-12-22)25-16-24(18-5-3-2-4-6-18)30-31(25)27(33)17-36-28(34)21-9-13-23-20(15-21)10-14-26(32)29-23/h2-9,11-13,15,25H,10,14,16-17H2,1H3,(H,29,32)