ethyl 3-[2-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]propanoate

Systemtic Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]propanoate Openeye Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-4-yl]propanoate CAS Name: 3-[2-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-4-yl]propanoate Traditional Name: 3-[1-(1H-benzimidazol-2-yl)-5-keto-3-(4-methoxyphenyl)-3-pyrazolin-4-yl]propionic acid ethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NN(C1=O)C2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)CCC1=C(NN(C1=O)C2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O4/c1-3-30-19(27)13-12-16-20(14-8-10-15(29-2)11-9-14)25-26(21(16)28)22-23-17-6-4-5-7-18(17)24-22/h4-11,25H,3,12-13H2,1-2H3,(H,23,24)