2,2-dimethyl-7-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3H-chromen-4-one; ethanol; dihydrochloride

Systemtic Name: 2,2-dimethyl-7-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3H-chromen-4-one; ethanol; dihydrochloride Openeye Name: ethanol; 7-[2-hydroxy-3-[4-(2-pyridyl)piperazin-1-yl]propoxy]-2,2-dimethyl-chroman-4-one; dihydrochloride CAS Name: ethanol; 7-[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; dihydrochloride IUPAC Name: ethanol; 7-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2,2-dimethyl-3H-chromen-4-one; dihydrochloride Traditional Name: ethanol; 7-[2-hydroxy-3-[4-(2-pyridyl)piperazino]propoxy]-2,2-dimethyl-chroman-4-one; dihydrochloride Formula: C25H37Cl2N3O5 MolecularWeight: 530.48438

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=N4)O)C.Cl.Cl

Isomeric SMILES

CCO.CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=N4)O)C.Cl.Cl

InChI

InChI=1S/C23H29N3O4.C2H6O.2ClH/c1-23(2)14-20(28)19-7-6-18(13-21(19)30-23)29-16-17(27)15-25-9-11-26(12-10-25)22-5-3-4-8-24-22;1-2-3;;/h3-8,13,17,27H,9-12,14-16H2,1-2H3;3H,2H2,1H3;2*1H