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

Systemtic Name: 8-(azepan-1-ylmethyl)-7-oxidanyl-3-phenyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepanylmethyl)-7-hydroxy-3-phenyl-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromone Formula: C23H22F3NO3 MolecularWeight: 417.42089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3NO3/c24-23(25,26)22-19(15-8-4-3-5-9-15)20(29)16-10-11-18(28)17(21(16)30-22)14-27-12-6-1-2-7-13-27/h3-5,8-11,28H,1-2,6-7,12-14H2