(E)-3-[1-(4-bromanyl-3,5-dimethyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclopropyl-prop-2-enamide

Systemtic Name: (E)-3-[1-(4-bromanyl-3,5-dimethyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclopropyl-prop-2-enamide Openeye Name: (E)-3-[1-(4-bromo-3,5-dimethyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclopropyl-prop-2-enamide CAS Name: (E)-3-[1-(4-bromo-3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-cyclopropyl-2-propenamide IUPAC Name: (E)-3-[1-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-cyclopropylprop-2-enamide Traditional Name: (E)-3-[1-(4-bromo-3,5-dimethyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclopropyl-acrylamide Formula: C21H22BrN3O MolecularWeight: 412.32288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NC3CC3)C

InChI

InChI=1S/C21H22BrN3O/c1-12-7-19(8-13(2)20(12)22)25-14(3)9-16(15(25)4)10-17(11-23)21(26)24-18-5-6-18/h7-10,18H,5-6H2,1-4H3,(H,24,26)/b17-10+