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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O)C(F)(F)F

InChI

InChI=1S/C24H24F3NO5/c1-31-15-7-6-8-16(13-15)32-22-20(30)17-9-10-19(29)18(14-28-11-4-2-3-5-12-28)21(17)33-23(22)24(25,26)27/h6-10,13,29H,2-5,11-12,14H2,1H3