1-[3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)azepan-1-yl]ethanone

Systemtic Name: 1-[3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)azepan-1-yl]ethanone Openeye Name: 1-[3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)azepan-1-yl]ethanone CAS Name: 1-[3-[2-(4-cyclohexyl-1-piperazinyl)ethyl]-2-(2-methoxyphenyl)-1-azepanyl]ethanone IUPAC Name: 1-[3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)azepan-1-yl]ethanone Traditional Name: 1-[3-[2-(4-cyclohexylpiperazino)ethyl]-2-(2-methoxyphenyl)azepan-1-yl]ethanone Formula: C27H43N3O2 MolecularWeight: 441.64922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCCC(C1C2=CC=CC=C2OC)CCN3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC(=O)N1CCCCC(C1C2=CC=CC=C2OC)CCN3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C27H43N3O2/c1-22(31)30-16-9-8-10-23(27(30)25-13-6-7-14-26(25)32-2)15-17-28-18-20-29(21-19-28)24-11-4-3-5-12-24/h6-7,13-14,23-24,27H,3-5,8-12,15-21H2,1-2H3