N'-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide

Systemtic Name: N'-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide Openeye Name: N'-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide CAS Name: N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide IUPAC Name: N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide Traditional Name: N'-[(3-iodo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-[3-(trifluoromethyl)phenyl]succinamide Formula: C22H19F3IN3O4 MolecularWeight: 573.30364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)I)OCC#C

InChI

InChI=1S/C22H19F3IN3O4/c1-3-9-33-21-17(26)10-14(11-18(21)32-2)13-27-29-20(31)8-7-19(30)28-16-6-4-5-15(12-16)22(23,24)25/h1,4-6,10-13H,7-9H2,2H3,(H,28,30)(H,29,31)