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

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(4-chloranylphenoxy)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-3-(4-chlorophenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepanylmethyl)-3-(4-chlorophenoxy)-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-3-(4-chlorophenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-3-(4-chlorophenoxy)-7-hydroxy-2-(trifluoromethyl)chromone Formula: C23H21ClF3NO4 MolecularWeight: 467.86535

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)Cl)C(F)(F)F)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)Cl)C(F)(F)F)O

InChI

InChI=1S/C23H21ClF3NO4/c24-14-5-7-15(8-6-14)31-21-19(30)16-9-10-18(29)17(13-28-11-3-1-2-4-12-28)20(16)32-22(21)23(25,26)27/h5-10,29H,1-4,11-13H2