[(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(\C#N)/C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O3/c1-27-19-10-6-5-9-16(19)24-21(27)15(12-23)20(28)13-30-22(29)18-11-17(25-26-18)14-7-3-2-4-8-14/h2-11,24H,13H2,1H3,(H,25,26)/b21-15-