1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butan-1-one dihydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)C4CCCCCC4.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)C4CCCCCC4.Cl.Cl

InChI

InChI=1S/C28H38N2O2.2ClH/c1-32-27-16-10-9-15-26(27)30-21-19-29(20-22-30)18-17-25(23-11-7-4-8-12-23)28(31)24-13-5-2-3-6-14-24;;/h4,7-12,15-16,24-25H,2-3,5-6,13-14,17-22H2,1H3;2*1H