4-methyl-7-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]chromen-2-one trihydrochloride

Systemtic Name: 4-methyl-7-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]chromen-2-one trihydrochloride Openeye Name: 7-[2-hydroxy-3-[4-(2-pyridyl)piperazin-1-yl]propoxy]-4-methyl-chromen-2-one trihydrochloride CAS Name: 7-[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]-4-methyl-1-benzopyran-2-one trihydrochloride IUPAC Name: 7-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-4-methylchromen-2-one trihydrochloride Traditional Name: 7-[2-hydroxy-3-[4-(2-pyridyl)piperazino]propoxy]-4-methyl-coumarin trihydrochloride Formula: C22H28Cl3N3O4 MolecularWeight: 504.83442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCN(CC3)C4=CC=CC=N4)O.Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCN(CC3)C4=CC=CC=N4)O.Cl.Cl.Cl

InChI

InChI=1S/C22H25N3O4.3ClH/c1-16-12-22(27)29-20-13-18(5-6-19(16)20)28-15-17(26)14-24-8-10-25(11-9-24)21-4-2-3-7-23-21;;;/h2-7,12-13,17,26H,8-11,14-15H2,1H3;3*1H