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

Systemtic Name: 2-(1-adamantyl)-N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]acetamide Formula: C26H36ClN3O2 MolecularWeight: 458.03594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClN3O2/c1-17(2)25(32)30-7-5-29(6-8-30)23-4-3-21(12-22(23)27)28-24(31)16-26-13-18-9-19(14-26)11-20(10-18)15-26/h3-4,12,17-20H,5-11,13-16H2,1-2H3,(H,28,31)