(E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C22H27N3O MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O/c1-16(2)10-11-25-17(3)12-20(18(25)4)13-21(14-23)22(26)24-15-19-8-6-5-7-9-19/h5-9,12-13,16H,10-11,15H2,1-4H3,(H,24,26)/b21-13+