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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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