8-(azepan-1-ylmethyl)-3-(2-methoxyphenoxy)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(2-methoxyphenoxy)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(2-methoxyphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepanylmethyl)-7-hydroxy-3-(2-methoxyphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(2-methoxyphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(2-methoxyphenoxy)-2-(trifluoromethyl)chromone Formula: C24H24F3NO5 MolecularWeight: 463.44627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O)C(F)(F)F

InChI

InChI=1S/C24H24F3NO5/c1-31-18-8-4-5-9-19(18)32-22-20(30)15-10-11-17(29)16(14-28-12-6-2-3-7-13-28)21(15)33-23(22)24(25,26)27/h4-5,8-11,29H,2-3,6-7,12-14H2,1H3