N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)pyrrol-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)pyrrol-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)pyrrol-2-yl]-4-fluoro-benzamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)-2-pyrrolyl]-4-fluorobenzamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)pyrrol-2-yl]-4-fluorobenzamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)pyrrol-2-yl]-4-fluoro-benzamide Formula: C22H20FN3O MolecularWeight: 361.412103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)F)C(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)F)C(C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20FN3O/c1-14-15(2)26(16(3)17-7-5-4-6-8-17)21(20(14)13-24)25-22(27)18-9-11-19(23)12-10-18/h4-12,16H,1-3H3,(H,25,27)