2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C20H23ClF3N5O MolecularWeight: 441.87773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC3=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H23ClF3N5O/c1-13(2)17(27-16-5-4-14(12-15(16)21)20(22,23)24)18(30)28-8-10-29(11-9-28)19-25-6-3-7-26-19/h3-7,12-13,17,27H,8-11H2,1-2H3