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

Systemtic Name: 3-(4-methoxyphenyl)-7-oxidanyl-2-[4-(2-piperazin-1-ylethoxy)phenyl]carbonyl-chromen-4-one dihydrochloride Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-2-[4-(2-piperazin-1-ylethoxy)benzoyl]chromen-4-one dihydrochloride CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-2-[oxo-[4-[2-(1-piperazinyl)ethoxy]phenyl]methyl]-1-benzopyran-4-one dihydrochloride IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-2-[4-(2-piperazin-1-ylethoxy)benzoyl]chromen-4-one dihydrochloride Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-2-[4-(2-piperazinoethoxy)benzoyl]chromone dihydrochloride Formula: C29H30Cl2N2O6 MolecularWeight: 573.4643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCNCC5.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCNCC5.Cl.Cl

InChI

InChI=1S/C29H28N2O6.2ClH/c1-35-22-7-2-19(3-8-22)26-28(34)24-11-6-21(32)18-25(24)37-29(26)27(33)20-4-9-23(10-5-20)36-17-16-31-14-12-30-13-15-31;;/h2-11,18,30,32H,12-17H2,1H3;2*1H