N-[3-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]carbonyl-1-adamantyl]ethanamide

Systemtic Name: N-[3-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]carbonyl-1-adamantyl]ethanamide Openeye Name: N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide CAS Name: N-[3-[[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-1-adamantyl]acetamide IUPAC Name: N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide Traditional Name: N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide Formula: C24H30ClN3O3 MolecularWeight: 443.9663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H30ClN3O3/c1-16(29)26-24-13-17-9-18(14-24)12-23(11-17,15-24)22(31)28-7-5-27(6-8-28)21(30)19-3-2-4-20(25)10-19/h2-4,10,17-18H,5-9,11-15H2,1H3,(H,26,29)