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

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide Openeye Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(3,4-dimethylphenyl)propanediamide CAS Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide IUPAC Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide Traditional Name: N'-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-(3,4-dimethylphenyl)malonamide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O4/c1-5-8-30-22-18(23)10-16(11-19(22)29-4)13-24-26-21(28)12-20(27)25-17-7-6-14(2)15(3)9-17/h1,6-7,9-11,13H,8,12H2,2-4H3,(H,25,27)(H,26,28)