tert-butyl 4-[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(adamantane-1-carbonylamino)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[1-adamantyl(oxo)methyl]amino]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(adamantane-1-carbonylamino)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(adamantane-1-carbonylamino)methyl]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H39N3O4 MolecularWeight: 481.62696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H39N3O4/c1-27(2,3)35-26(34)31-10-8-30(9-11-31)24(32)23-6-4-19(5-7-23)18-29-25(33)28-15-20-12-21(16-28)14-22(13-20)17-28/h4-7,20-22H,8-18H2,1-3H3,(H,29,33)