7-[[4-[4-fluoranyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-[[4-[4-fluoranyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazino]methyl]coumarin Formula: C21H18F4N2O2 MolecularWeight: 406.373433

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC(=C(C=C4)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC(=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C21H18F4N2O2/c22-18-5-4-16(12-17(18)21(23,24)25)27-9-7-26(8-10-27)13-14-1-2-15-3-6-20(28)29-19(15)11-14/h1-6,11-12H,7-10,13H2