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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c25-19(24-21-9-13-5-14(10-21)7-15(6-13)11-21)12-27-20(26)16-1-2-17-18(8-16)23-4-3-22-17/h1-4,8,13-15H,5-7,9-12H2,(H,24,25)