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

Systemtic Name: 2-cyano-3-(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)-N-phenyl-prop-2-enamide Openeye Name: 2-cyano-3-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]-N-phenyl-prop-2-enamide CAS Name: 2-cyano-3-[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]-N-phenyl-2-propenamide IUPAC Name: 2-cyano-3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-N-phenylprop-2-enamide Traditional Name: 2-cyano-3-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]-N-phenyl-acrylamide Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C=C(C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)C=C(C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O/c1-15-11-17(16(2)25(15)20-9-6-10-23-14-20)12-18(13-22)21(26)24-19-7-4-3-5-8-19/h3-12,14H,1-2H3,(H,24,26)