[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate

Systemtic Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-[1-adamantyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C23H26FN3O3 MolecularWeight: 411.469243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)COC(=O)C5=CC=NN5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)COC(=O)C5=CC=NN5

InChI

InChI=1S/C23H26FN3O3/c24-19-3-1-15(2-4-19)13-27(21(28)14-30-22(29)20-5-6-25-26-20)23-10-16-7-17(11-23)9-18(8-16)12-23/h1-6,16-18H,7-14H2,(H,25,26)