3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-6-chloranyl-2-(4-methoxyphenyl)chromen-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-6-chloranyl-2-(4-methoxyphenyl)chromen-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethoxy]-6-chloro-2-(4-methoxyphenyl)chromen-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethoxy]-6-chloro-2-(4-methoxyphenyl)-1-benzopyran-4-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethoxy]-6-chloro-2-(4-methoxyphenyl)chromen-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethoxy]-6-chloro-2-(4-methoxyphenyl)chromone Formula: C24H24ClNO5 MolecularWeight: 441.90406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)N4CCCCCC4

InChI

InChI=1S/C24H24ClNO5/c1-29-18-9-6-16(7-10-18)23-24(22(28)19-14-17(25)8-11-20(19)31-23)30-15-21(27)26-12-4-2-3-5-13-26/h6-11,14H,2-5,12-13,15H2,1H3