[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=C4CCCCC4=NC5=CC=CC=C53)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=C4CCCCC4=NC5=CC=CC=C53)C

InChI

InChI=1S/C27H24N4O3/c1-30-22-13-7-8-14-23(22)31(2)26(30)19(15-28)24(32)16-34-27(33)25-17-9-3-5-11-20(17)29-21-12-6-4-10-18(21)25/h3,5,7-9,11,13-14H,4,6,10,12,16H2,1-2H3