4-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]-7-methyl-coumarin Formula: C21H19ClF3N3O2 MolecularWeight: 437.84267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H19ClF3N3O2/c1-13-2-3-16-14(9-19(29)30-18(16)8-13)12-27-4-6-28(7-5-27)20-17(22)10-15(11-26-20)21(23,24)25/h2-3,8-11H,4-7,12H2,1H3