[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c22-16(10-24-17(23)15-9-19-1-2-20-15)21-11-18-6-12-3-13(7-18)5-14(4-12)8-18/h1-2,9,12-14H,3-8,10-11H2,(H,21,22)