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

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(4-methoxyphenyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepanylmethyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromone Formula: C24H24F3NO4 MolecularWeight: 447.44687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24F3NO4/c1-31-16-8-6-15(7-9-16)20-21(30)17-10-11-19(29)18(14-28-12-4-2-3-5-13-28)22(17)32-23(20)24(25,26)27/h6-11,29H,2-5,12-14H2,1H3