(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-N-phenethyl-acrylamide Formula: C21H25N3O MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C(C#N)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O/c1-15(2)24-16(3)12-19(17(24)4)13-20(14-22)21(25)23-11-10-18-8-6-5-7-9-18/h5-9,12-13,15H,10-11H2,1-4H3,(H,23,25)/b20-13+