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

Systemtic Name: 6-[6-(azepan-1-yl)hexoxy]-2-phenyl-chromen-4-one hydrochloride Openeye Name: 6-[6-(azepan-1-yl)hexoxy]-2-phenyl-chromen-4-one hydrochloride CAS Name: 6-[6-(1-azepanyl)hexoxy]-2-phenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 6-[6-(azepan-1-yl)hexoxy]-2-phenylchromen-4-one hydrochloride Traditional Name: 6-[6-(azepan-1-yl)hexoxy]-2-phenyl-chromone hydrochloride Formula: C27H34ClNO3 MolecularWeight: 456.01676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCCCCOC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCCN(CC1)CCCCCCOC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H33NO3.ClH/c29-25-21-27(22-12-6-5-7-13-22)31-26-15-14-23(20-24(25)26)30-19-11-4-3-10-18-28-16-8-1-2-9-17-28;/h5-7,12-15,20-21H,1-4,8-11,16-19H2;1H