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

Systemtic Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]propanoate Openeye Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-3-oxo-5-propyl-1H-pyrazol-4-yl]propanoate CAS Name: 3-[2-(1H-benzimidazol-2-yl)-3-oxo-5-propyl-1H-pyrazol-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-3-oxo-5-propyl-1H-pyrazol-4-yl]propanoate Traditional Name: 3-[1-(1H-benzimidazol-2-yl)-5-keto-3-propyl-3-pyrazolin-4-yl]propionic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CCC(=O)OCC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CCC(=O)OCC

InChI

InChI=1S/C18H22N4O3/c1-3-7-13-12(10-11-16(23)25-4-2)17(24)22(21-13)18-19-14-8-5-6-9-15(14)20-18/h5-6,8-9,21H,3-4,7,10-11H2,1-2H3,(H,19,20)