N-[2-[(3S)-3-azanylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-2-fluoranyl-5-iodanyl-benzamide

Systemtic Name: N-[2-[(3S)-3-azanylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-2-fluoranyl-5-iodanyl-benzamide Openeye Name: N-[2-[(3S)-3-amino-1-piperidyl]-5-(trifluoromethyl)phenyl]-2-fluoro-5-iodo-benzamide CAS Name: N-[2-[(3S)-3-amino-1-piperidinyl]-5-(trifluoromethyl)phenyl]-2-fluoro-5-iodobenzamide IUPAC Name: N-[2-[(3S)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)phenyl]-2-fluoro-5-iodobenzamide Traditional Name: N-[2-[(3S)-3-aminopiperidino]-5-(trifluoromethyl)phenyl]-2-fluoro-5-iodo-benzamide Formula: C19H18F4IN3O MolecularWeight: 507.263803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C=CC(=C3)I)F)N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C=CC(=C3)I)F)N

InChI

InChI=1S/C19H18F4IN3O/c20-15-5-4-12(24)9-14(15)18(28)26-16-8-11(19(21,22)23)3-6-17(16)27-7-1-2-13(25)10-27/h3-6,8-9,13H,1-2,7,10,25H2,(H,26,28)/t13-/m0/s1