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

Systemtic Name: 7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-(3-methylphenoxy)chromen-4-one hydrochloride Openeye Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(3-methylphenoxy)chromen-4-one hydrochloride CAS Name: 7-[3-(1-azepanyl)-2-hydroxypropoxy]-3-(3-methylphenoxy)-1-benzopyran-4-one hydrochloride IUPAC Name: 7-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-(3-methylphenoxy)chromen-4-one hydrochloride Traditional Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(3-methylphenoxy)chromone hydrochloride Formula: C25H30ClNO5 MolecularWeight: 459.9624

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5.ClH/c1-18-7-6-8-21(13-18)31-24-17-30-23-14-20(9-10-22(23)25(24)28)29-16-19(27)15-26-11-4-2-3-5-12-26;/h6-10,13-14,17,19,27H,2-5,11-12,15-16H2,1H3;1H