3-(4-chlorophenyl)-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-chlorophenyl)-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazino)methyl]-2-(trifluoromethyl)chromone Formula: C22H20ClF3N2O3 MolecularWeight: 452.85401

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)O

InChI

InChI=1S/C22H20ClF3N2O3/c1-27-8-10-28(11-9-27)12-16-17(29)7-6-15-19(30)18(13-2-4-14(23)5-3-13)21(22(24,25)26)31-20(15)16/h2-7,29H,8-12H2,1H3