ethyl 4-[2-(1-adamantylcarbonylamino)-6-chloranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-adamantylcarbonylamino)-6-chloranyl-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(adamantane-1-carbonylamino)-6-chloro-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1-adamantyl(oxo)methyl]amino]-6-chlorophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(adamantane-1-carbonylamino)-6-chlorophenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(adamantane-1-carbonylamino)-6-chloro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H32ClN3O3 MolecularWeight: 445.98218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32ClN3O3/c1-2-31-23(30)28-8-6-27(7-9-28)21-19(25)4-3-5-20(21)26-22(29)24-13-16-10-17(14-24)12-18(11-16)15-24/h3-5,16-18H,2,6-15H2,1H3,(H,26,29)