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

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(3-chloranyl-4-methyl-phenyl)butanediamide Openeye Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(3-chloro-4-methyl-phenyl)butanediamide CAS Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)butanediamide IUPAC Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)butanediamide Traditional Name: N'-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-(3-chloro-4-methyl-phenyl)succinamide Formula: C22H21BrClN3O4 MolecularWeight: 506.77684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrClN3O4/c1-4-9-31-22-17(23)10-15(11-19(22)30-3)13-25-27-21(29)8-7-20(28)26-16-6-5-14(2)18(24)12-16/h1,5-6,10-13H,7-9H2,2-3H3,(H,26,28)(H,27,29)