[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C26H22N4O5 MolecularWeight: 470.47668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C26H22N4O5/c1-33-21-11-7-18(8-12-21)22-16-23(24-4-2-15-34-24)30(28-22)25(31)17-35-26(32)19-5-9-20(10-6-19)29-14-3-13-27-29/h2-15,23H,16-17H2,1H3