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

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(2-chlorophenyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepanylmethyl)-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromone Formula: C23H21ClF3NO3 MolecularWeight: 451.86595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4Cl)C(F)(F)F)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4Cl)C(F)(F)F)O

InChI

InChI=1S/C23H21ClF3NO3/c24-17-8-4-3-7-14(17)19-20(30)15-9-10-18(29)16(13-28-11-5-1-2-6-12-28)21(15)31-22(19)23(25,26)27/h3-4,7-10,29H,1-2,5-6,11-13H2