[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C27H19N5O3 MolecularWeight: 461.47146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C5=CC=CC=C5

InChI

InChI=1S/C27H19N5O3/c28-15-20(26-29-22-13-7-8-14-23(22)30-26)24(33)17-35-27(34)21-16-32(19-11-5-2-6-12-19)31-25(21)18-9-3-1-4-10-18/h1-14,16,29-30H,17H2