3-(4-hydroxyphenyl)-7-oxidanyl-2-[4-(2-piperazin-1-ylethoxy)phenyl]carbonyl-chromen-4-one dihydrochloride

Systemtic Name: 3-(4-hydroxyphenyl)-7-oxidanyl-2-[4-(2-piperazin-1-ylethoxy)phenyl]carbonyl-chromen-4-one dihydrochloride Openeye Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-[4-(2-piperazin-1-ylethoxy)benzoyl]chromen-4-one dihydrochloride CAS Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-[oxo-[4-[2-(1-piperazinyl)ethoxy]phenyl]methyl]-1-benzopyran-4-one dihydrochloride IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-[4-(2-piperazin-1-ylethoxy)benzoyl]chromen-4-one dihydrochloride Traditional Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-[4-(2-piperazinoethoxy)benzoyl]chromone dihydrochloride Formula: C28H28Cl2N2O6 MolecularWeight: 559.43772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCOC2=CC=C(C=C2)C(=O)C3=C(C(=O)C4=C(O3)C=C(C=C4)O)C5=CC=C(C=C5)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1)CCOC2=CC=C(C=C2)C(=O)C3=C(C(=O)C4=C(O3)C=C(C=C4)O)C5=CC=C(C=C5)O.Cl.Cl

InChI

InChI=1S/C28H26N2O6.2ClH/c31-20-5-1-18(2-6-20)25-27(34)23-10-7-21(32)17-24(23)36-28(25)26(33)19-3-8-22(9-4-19)35-16-15-30-13-11-29-12-14-30;;/h1-10,17,29,31-32H,11-16H2;2*1H