7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-(3,5-dimethylphenoxy)chromen-4-one hydrochloride

Systemtic Name: 7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-(3,5-dimethylphenoxy)chromen-4-one hydrochloride Openeye Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(3,5-dimethylphenoxy)chromen-4-one hydrochloride CAS Name: 7-[3-(1-azepanyl)-2-hydroxypropoxy]-3-(3,5-dimethylphenoxy)-1-benzopyran-4-one hydrochloride IUPAC Name: 7-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-(3,5-dimethylphenoxy)chromen-4-one hydrochloride Traditional Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(3,5-dimethylphenoxy)chromone hydrochloride Formula: C26H32ClNO5 MolecularWeight: 473.98898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCCC4)O)C.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCCC4)O)C.Cl

InChI

InChI=1S/C26H31NO5.ClH/c1-18-11-19(2)13-22(12-18)32-25-17-31-24-14-21(7-8-23(24)26(25)29)30-16-20(28)15-27-9-5-3-4-6-10-27;/h7-8,11-14,17,20,28H,3-6,9-10,15-16H2,1-2H3;1H