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

Systemtic Name: N'-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-N-(2-methylphenyl)butanediamide Openeye Name: N'-[(5-bromo-2-prop-2-ynoxy-phenyl)methyleneamino]-N-(o-tolyl)butanediamide CAS Name: N'-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide IUPAC Name: N'-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide Traditional Name: N'-[(5-bromo-2-propargyloxy-benzylidene)amino]-N-(o-tolyl)succinamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(=O)NN=CC2=C(C=CC(=C2)Br)OCC#C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC(=O)NN=CC2=C(C=CC(=C2)Br)OCC#C

InChI

InChI=1S/C21H20BrN3O3/c1-3-12-28-19-9-8-17(22)13-16(19)14-23-25-21(27)11-10-20(26)24-18-7-5-4-6-15(18)2/h1,4-9,13-14H,10-12H2,2H3,(H,24,26)(H,25,27)