pyridin-3-yl-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]methanone dihydrochloride

Systemtic Name: pyridin-3-yl-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]methanone dihydrochloride Openeye Name: 3-pyridyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone dihydrochloride CAS Name: [4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone dihydrochloride IUPAC Name: pyridin-3-yl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone dihydrochloride Traditional Name: 3-pyridyl-[4-(3,4,5-trimethoxybenzoyl)piperazino]methanone dihydrochloride Formula: C20H25Cl2N3O5 MolecularWeight: 458.3356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3.Cl.Cl

InChI

InChI=1S/C20H23N3O5.2ClH/c1-26-16-11-15(12-17(27-2)18(16)28-3)20(25)23-9-7-22(8-10-23)19(24)14-5-4-6-21-13-14;;/h4-6,11-13H,7-10H2,1-3H3;2*1H