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

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide Openeye Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(3-chlorophenyl)butanediamide CAS Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide IUPAC Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide Traditional Name: N'-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-(3-chlorophenyl)succinamide Formula: C21H19BrClN3O4 MolecularWeight: 492.75026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC(=CC=C2)Cl)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC(=CC=C2)Cl)Br)OCC#C

InChI

InChI=1S/C21H19BrClN3O4/c1-3-9-30-21-17(22)10-14(11-18(21)29-2)13-24-26-20(28)8-7-19(27)25-16-6-4-5-15(23)12-16/h1,4-6,10-13H,7-9H2,2H3,(H,25,27)(H,26,28)