N-[[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-acetylpiperazine-1-carbonyl)benzyl]adamantane-1-carboxamide Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O3/c1-17(29)27-6-8-28(9-7-27)23(30)22-4-2-18(3-5-22)16-26-24(31)25-13-19-10-20(14-25)12-21(11-19)15-25/h2-5,19-21H,6-16H2,1H3,(H,26,31)