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

Systemtic Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoate Openeye Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoate CAS Name: 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoate Traditional Name: 3-[1-(1H-benzimidazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]propionic acid ethyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-3-23-14(21)9-8-11-10(2)19-20(15(11)22)16-17-12-6-4-5-7-13(12)18-16/h4-7,19H,3,8-9H2,1-2H3,(H,17,18)