[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[1-adamantyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C24H27FN4O3 MolecularWeight: 438.494583

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)COC(=O)C5=NC=CN=C5N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)COC(=O)C5=NC=CN=C5N

InChI

InChI=1S/C24H27FN4O3/c25-19-3-1-15(2-4-19)13-29(24-10-16-7-17(11-24)9-18(8-16)12-24)20(30)14-32-23(31)21-22(26)28-6-5-27-21/h1-6,16-18H,7-14H2,(H2,26,28)