[(Z)-3-cyano-4-(diethylamino)-4-(4-fluorophenyl)-2-oxidanylidene-but-3-enyl] adamantane-1-carboxylate

Systemtic Name: [(Z)-3-cyano-4-(diethylamino)-4-(4-fluorophenyl)-2-oxidanylidene-but-3-enyl] adamantane-1-carboxylate Openeye Name: [(Z)-3-cyano-4-(diethylamino)-4-(4-fluorophenyl)-2-oxo-but-3-enyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(Z)-3-cyano-4-(diethylamino)-4-(4-fluorophenyl)-2-oxobut-3-enyl] ester IUPAC Name: [(Z)-3-cyano-4-(diethylamino)-4-(4-fluorophenyl)-2-oxobut-3-enyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(Z)-3-cyano-4-(diethylamino)-4-(4-fluorophenyl)-2-keto-but-3-enyl] ester Formula: C26H31FN2O3 MolecularWeight: 438.534343

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=C(C#N)C(=O)COC(=O)C12CC3CC(C1)CC(C3)C2)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC)/C(=C(/C#N)\C(=O)COC(=O)C12CC3CC(C1)CC(C3)C2)/C4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN2O3/c1-3-29(4-2)24(20-5-7-21(27)8-6-20)22(15-28)23(30)16-32-25(31)26-12-17-9-18(13-26)11-19(10-17)14-26/h5-8,17-19H,3-4,9-14,16H2,1-2H3/b24-22-