[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-azanyl-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-azanyl-1H-1,2,4-triazole-5-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-amino-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-amino-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C15H21N5O3 MolecularWeight: 319.35894

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=NC(=NN4)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=NC(=NN4)N

InChI

InChI=1S/C15H21N5O3/c16-14-17-12(19-20-14)13(22)23-7-11(21)18-15-4-8-1-9(5-15)3-10(2-8)6-15/h8-10H,1-7H2,(H,18,21)(H3,16,17,19,20)