2-(1-adamantyl)-N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[5-chloro-2-(4-propionylpiperazino)phenyl]acetamide Formula: C25H34ClN3O2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN3O2/c1-2-24(31)29-7-5-28(6-8-29)22-4-3-20(26)12-21(22)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)