3-(4-tert-butylphenoxy)-7-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]chromen-4-one dihydrochloride

Systemtic Name: 3-(4-tert-butylphenoxy)-7-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]chromen-4-one dihydrochloride Openeye Name: 3-(4-tert-butylphenoxy)-7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]chromen-4-one dihydrochloride CAS Name: 3-(4-tert-butylphenoxy)-7-[2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-1-benzopyran-4-one dihydrochloride IUPAC Name: 3-(4-tert-butylphenoxy)-7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]chromen-4-one dihydrochloride Traditional Name: 3-(4-tert-butylphenoxy)-7-[2-hydroxy-3-(4-methylpiperazino)propoxy]chromone dihydrochloride Formula: C27H36Cl2N2O5 MolecularWeight: 539.49114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCN(CC4)C)O.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCN(CC4)C)O.Cl.Cl

InChI

InChI=1S/C27H34N2O5.2ClH/c1-27(2,3)19-5-7-21(8-6-19)34-25-18-33-24-15-22(9-10-23(24)26(25)31)32-17-20(30)16-29-13-11-28(4)12-14-29;;/h5-10,15,18,20,30H,11-14,16-17H2,1-4H3;2*1H