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

Systemtic Name: 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-methyl-butan-1-one Openeye Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-1-[4-(cyclopropanecarbonyl)piperazino]-3-methyl-butan-1-one Formula: C20H25ClF3N3O2 MolecularWeight: 431.87961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2CC2)NC3=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2CC2)NC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H25ClF3N3O2/c1-12(2)17(25-16-6-5-14(11-15(16)21)20(22,23)24)19(29)27-9-7-26(8-10-27)18(28)13-3-4-13/h5-6,11-13,17,25H,3-4,7-10H2,1-2H3