1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone

Systemtic Name: 1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone Openeye Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone CAS Name: 1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-(2,5-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone Traditional Name: 1-[4-(adamantane-1-carbonyl)piperazino]-2-(2,5-dimethylphenoxy)ethanone Formula: C25H34N2O3 MolecularWeight: 410.54906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O3/c1-17-3-4-18(2)22(9-17)30-16-23(28)26-5-7-27(8-6-26)24(29)25-13-19-10-20(14-25)12-21(11-19)15-25/h3-4,9,19-21H,5-8,10-16H2,1-2H3