2-(1-adamantyl)-N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-chloro-4-(4-propionylpiperazino)phenyl]acetamide Formula: C25H34ClN3O2 MolecularWeight: 444.00936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C25H34ClN3O2/c1-2-24(31)29-7-5-28(6-8-29)22-4-3-20(12-21(22)26)27-23(30)16-25-13-17-9-18(14-25)11-19(10-17)15-25/h3-4,12,17-19H,2,5-11,13-16H2,1H3,(H,27,30)