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

Systemtic Name: 8-(azepan-1-ylmethyl)-7-oxidanyl-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(2-isopropylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepanylmethyl)-7-hydroxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(2-isopropylphenoxy)-2-(trifluoromethyl)chromone Formula: C26H28F3NO4 MolecularWeight: 475.50003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O)C(F)(F)F

InChI

InChI=1S/C26H28F3NO4/c1-16(2)17-9-5-6-10-21(17)33-24-22(32)18-11-12-20(31)19(15-30-13-7-3-4-8-14-30)23(18)34-25(24)26(27,28)29/h5-6,9-12,16,31H,3-4,7-8,13-15H2,1-2H3