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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-4-fluoranyl-benzamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-4-fluoro-benzamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-4-fluorobenzamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-4-fluorobenzamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-4-fluoro-benzamide Formula: C21H18FN3O MolecularWeight: 347.385523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H18FN3O/c1-14-15(2)25(13-16-6-4-3-5-7-16)20(19(14)12-23)24-21(26)17-8-10-18(22)11-9-17/h3-11H,13H2,1-2H3,(H,24,26)