(E)-3-[3-bromanyl-4-(dimethylamino)phenyl]-2-cyano-N-(3,5-dimethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[3-bromanyl-4-(dimethylamino)phenyl]-2-cyano-N-(3,5-dimethylphenyl)prop-2-enamide Openeye Name: (E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N-(3,5-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N-(3,5-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N-(3,5-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N-(3,5-dimethylphenyl)acrylamide Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)N(C)C)Br)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)N(C)C)Br)/C#N)C

InChI

InChI=1S/C20H20BrN3O/c1-13-7-14(2)9-17(8-13)23-20(25)16(12-22)10-15-5-6-19(24(3)4)18(21)11-15/h5-11H,1-4H3,(H,23,25)/b16-10+