[(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H17N5O3/c1-14(20(28)17(13-23)21-25-18-5-2-3-6-19(18)26-21)30-22(29)15-7-9-16(10-8-15)27-12-4-11-24-27/h2-12,14,25-26H,1H3/t14-/m0/s1