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

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(3-chloranyl-4-methyl-phenyl)propanediamide Openeye Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(3-chloro-4-methyl-phenyl)propanediamide CAS Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)propanediamide IUPAC Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)propanediamide Traditional Name: N'-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-(3-chloro-4-methyl-phenyl)malonamide Formula: C21H19BrClN3O4 MolecularWeight: 492.75026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC#C)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC#C)OC)Cl

InChI

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