N-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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