phenyl 4-[(3-chloranyl-1-adamantyl)carbonyl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[(3-chloranyl-1-adamantyl)carbonyl]piperazine-1-carboxylate Openeye Name: phenyl 4-(3-chloroadamantane-1-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(3-chloro-1-adamantyl)-oxomethyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(3-chloroadamantane-1-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-chloroadamantane-1-carbonyl)piperazine-1-carboxylic acid phenyl ester Formula: C22H27ClN2O3 MolecularWeight: 402.91438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C22H27ClN2O3/c23-22-13-16-10-17(14-22)12-21(11-16,15-22)19(26)24-6-8-25(9-7-24)20(27)28-18-4-2-1-3-5-18/h1-5,16-17H,6-15H2