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

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] adamantane-1-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C22H23N3O3/c23-11-16(20-24-17-3-1-2-4-18(17)25-20)19(26)12-28-21(27)22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,13-15,24-25H,5-10,12H2