N-(2-dimethylaminoethyl)-5-fluoranyl-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-methyl-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-5-fluoranyl-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-methyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-methyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-methylbenzamide IUPAC Name: N-(2-dimethylaminoethyl)-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-methylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]-N-methyl-benzamide Formula: C20H19F4N3O MolecularWeight: 393.377973

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)C(=O)C1=C(C=CC(=C1)F)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F

Isomeric SMILES

CN(C)CCN(C)C(=O)C1=C(C=CC(=C1)F)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F

InChI

InChI=1S/C20H19F4N3O/c1-25-18-8-5-13(11-17(18)20(22,23)24)15-7-6-14(21)12-16(15)19(28)27(4)10-9-26(2)3/h5-8,11-12H,9-10H2,2-4H3