6-ethyl-7-oxidanyl-4-[[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[4-[2-(trifluoromethyl)benzoyl]piperazino]methyl]coumarin Formula: C24H23F3N2O4 MolecularWeight: 460.44563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F)O

InChI

InChI=1S/C24H23F3N2O4/c1-2-15-11-18-16(12-22(31)33-21(18)13-20(15)30)14-28-7-9-29(10-8-28)23(32)17-5-3-4-6-19(17)24(25,26)27/h3-6,11-13,30H,2,7-10,14H2,1H3