[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-[3-(2-furyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-[3-(2-furanyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-[5-(2-furyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)CCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)CCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H25N3O4/c1-19-8-10-21(11-9-19)24-17-25(26-7-4-16-34-26)31(30-24)27(32)18-35-28(33)15-14-22-13-12-20-5-2-3-6-23(20)29-22/h2-13,16,25H,14-15,17-18H2,1H3