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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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