1-cyclohexyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-butan-1-one dihydrochloride

Systemtic Name: 1-cyclohexyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-butan-1-one dihydrochloride Openeye Name: 1-cyclohexyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-butan-1-one dihydrochloride CAS Name: 1-cyclohexyl-4-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-phenyl-1-butanone dihydrochloride IUPAC Name: 1-cyclohexyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one dihydrochloride Traditional Name: 1-cyclohexyl-4-(4-o-phenetylpiperazino)-2-phenyl-butan-1-one dihydrochloride Formula: C28H40Cl2N2O2 MolecularWeight: 507.5354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)C4CCCCC4.Cl.Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)C4CCCCC4.Cl.Cl

InChI

InChI=1S/C28H38N2O2.2ClH/c1-2-32-27-16-10-9-15-26(27)30-21-19-29(20-22-30)18-17-25(23-11-5-3-6-12-23)28(31)24-13-7-4-8-14-24;;/h3,5-6,9-12,15-16,24-25H,2,4,7-8,13-14,17-22H2,1H3;2*1H