N'-[(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide

Systemtic Name: N'-[(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide Openeye Name: N'-[(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(4-fluorophenyl)butanediamide CAS Name: N'-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide IUPAC Name: N'-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide Traditional Name: N'-[(3-chloro-5-ethoxy-4-propargyloxy-benzylidene)amino]-N-(4-fluorophenyl)succinamide Formula: C22H21ClFN3O4 MolecularWeight: 445.871243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)Cl)OCC#C

InChI

InChI=1S/C22H21ClFN3O4/c1-3-11-31-22-18(23)12-15(13-19(22)30-4-2)14-25-27-21(29)10-9-20(28)26-17-7-5-16(24)6-8-17/h1,5-8,12-14H,4,9-11H2,2H3,(H,26,28)(H,27,29)