[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-pyrazol-1-ylbenzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C23H19N5O3/c1-26-19-6-3-4-7-20(19)27(2)22(26)18(14-24)21(29)15-31-23(30)16-8-10-17(11-9-16)28-13-5-12-25-28/h3-13H,15H2,1-2H3