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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)pyrrol-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)pyrrol-2-yl]-2-fluoro-benzamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)-2-pyrrolyl]-2-fluorobenzamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)pyrrol-2-yl]-2-fluorobenzamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(1-phenylethyl)pyrrol-2-yl]-2-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=C2F)C(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C2=CC=CC=C2F)C(C)C3=CC=CC=C3)C

InChI

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