N'-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide

Systemtic Name: N'-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide Openeye Name: N'-[(5-bromo-2-prop-2-ynoxy-phenyl)methyleneamino]-N-(2-methoxyphenyl)butanediamide CAS Name: N'-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide IUPAC Name: N'-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide Traditional Name: N'-[(5-bromo-2-propargyloxy-benzylidene)amino]-N-(2-methoxyphenyl)succinamide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCC(=O)NN=CC2=C(C=CC(=C2)Br)OCC#C

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCC(=O)NN=CC2=C(C=CC(=C2)Br)OCC#C

InChI

InChI=1S/C21H20BrN3O4/c1-3-12-29-18-9-8-16(22)13-15(18)14-23-25-21(27)11-10-20(26)24-17-6-4-5-7-19(17)28-2/h1,4-9,13-14H,10-12H2,2H3,(H,24,26)(H,25,27)