1-[4-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxo-ethoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-oxoethoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-[4-(adamantane-1-carbonyl)piperazino]-2-keto-ethoxy]phenyl]propan-1-one Formula: C26H34N2O4 MolecularWeight: 438.55916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-2-23(29)21-3-5-22(6-4-21)32-17-24(30)27-7-9-28(10-8-27)25(31)26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,18-20H,2,7-17H2,1H3