2-cyano-3-(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-2-cyano-3-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]prop-2-enamide CAS Name: 2-cyano-3-[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-2-cyano-3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)prop-2-enamide Traditional Name: N-benzyl-2-cyano-3-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]acrylamide Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O/c1-16-11-19(17(2)26(16)21-9-6-10-24-15-21)12-20(13-23)22(27)25-14-18-7-4-3-5-8-18/h3-12,15H,14H2,1-2H3,(H,25,27)