3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethoxy]-2-(3,4-dimethoxyphenyl)-1-benzopyran-4-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethoxy]-2-(3,4-dimethoxyphenyl)chromone Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H27NO6/c1-29-20-12-11-17(15-21(20)30-2)24-25(23(28)18-9-5-6-10-19(18)32-24)31-16-22(27)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3