(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-N-(4-ethylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-N-(4-ethylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-ethylphenyl)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-N-(4-ethylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N-(4-ethylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4-ethylphenyl)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C21H25N3O MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C(C)C)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C)C(C)C)C)/C#N

InChI

InChI=1S/C21H25N3O/c1-6-17-7-9-20(10-8-17)23-21(25)19(13-22)12-18-11-15(4)24(14(2)3)16(18)5/h7-12,14H,6H2,1-5H3,(H,23,25)/b19-12+