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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C(C)C(=O)NC2=CC=CC=C2F)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NNC(=O)C(C)C(=O)NC2=CC=CC=C2F)Cl)OCC#C

InChI

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