6-[6-[4-(2-hydroxyethyl)piperazin-1-yl]hexoxy]-2-phenyl-chromen-4-one hydrochloride

Systemtic Name: 6-[6-[4-(2-hydroxyethyl)piperazin-1-yl]hexoxy]-2-phenyl-chromen-4-one hydrochloride Openeye Name: 6-[6-[4-(2-hydroxyethyl)piperazin-1-yl]hexoxy]-2-phenyl-chromen-4-one hydrochloride CAS Name: 6-[6-[4-(2-hydroxyethyl)-1-piperazinyl]hexoxy]-2-phenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 6-[6-[4-(2-hydroxyethyl)piperazin-1-yl]hexoxy]-2-phenylchromen-4-one hydrochloride Traditional Name: 6-[6-[4-(2-hydroxyethyl)piperazino]hexoxy]-2-phenyl-chromone hydrochloride Formula: C27H35ClN2O4 MolecularWeight: 487.0308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCOC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)CCO.Cl

Isomeric SMILES

C1CN(CCN1CCCCCCOC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)CCO.Cl

InChI

InChI=1S/C27H34N2O4.ClH/c30-18-17-29-15-13-28(14-16-29)12-6-1-2-7-19-32-23-10-11-26-24(20-23)25(31)21-27(33-26)22-8-4-3-5-9-22;/h3-5,8-11,20-21,30H,1-2,6-7,12-19H2;1H