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

Systemtic Name: 2-(1-adamantyl)-N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]acetamide Formula: C26H36ClN3O2 MolecularWeight: 458.03594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClN3O2/c1-2-3-25(32)30-8-6-29(7-9-30)23-5-4-21(13-22(23)27)28-24(31)17-26-14-18-10-19(15-26)12-20(11-18)16-26/h4-5,13,18-20H,2-3,6-12,14-17H2,1H3,(H,28,31)