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이름: N-{[1-(4-amino-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide TFA salt

IUPAC: N-[2-[[1-(4-aminocyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid

SMILES: NC1CCC(N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1.O=C(O)C(F)(F)F

Canonical SMILES: C1CC(CCC1N)N2CC(C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F.C(=O)(C(F)(F)F)O

분자식: C21H26F6N4O4

분자량: 512.40

InChIKey: KOMKOAUPOVWVEN-UHFFFAOYSA-N

InChI: InChI=1S/C19H25F3N4O2.C2HF3O2/c20-19(21,22)13-3-1-2-12(8-13)18(28)24-9-17(27)25-15-10-26(11-15)16-6-4-14(23)5-7-16;3-2(4,5)1(6)7/h1-3,8,14-16H,4-7,9-11,23H2,(H,24,28)(H,25,27);(H,6,7)

PubChem CID: 86646662 →

동의어

N-{[1-(4-Amino-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide TFA saltSCHEMBL3460829

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