(E)-3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-3-[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-N-benzyl-3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylamide Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)/C=C(\C#N)/C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O/c1-19-15-22(16-23(17-28)26(31)29-18-21-9-7-6-8-10-21)20(2)30(19)25-13-11-24(12-14-25)27(3,4)5/h6-16H,18H2,1-5H3,(H,29,31)/b23-16+