[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C22H25N3O3/c26-20(25-13-22-9-14-5-15(10-22)7-16(6-14)11-22)12-28-21(27)17-1-2-18-19(8-17)24-4-3-23-18/h1-4,8,14-16H,5-7,9-13H2,(H,25,26)