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

Systemtic Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]propanoate Openeye Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]propanoate CAS Name: 3-[2-(1H-benzimidazol-2-yl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(1H-benzimidazol-2-yl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]propanoate Traditional Name: 3-[1-(1H-benzimidazol-2-yl)-5-keto-3-phenyl-3-pyrazolin-4-yl]propionic acid ethyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c1-2-28-18(26)13-12-15-19(14-8-4-3-5-9-14)24-25(20(15)27)21-22-16-10-6-7-11-17(16)23-21/h3-11,24H,2,12-13H2,1H3,(H,22,23)