3-[4-(2-cyanoethylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoranyl-4-methyl-benzamide

Systemtic Name: 3-[4-(2-cyanoethylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoranyl-4-methyl-benzamide Openeye Name: 3-[4-(2-cyanoethylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide CAS Name: 3-[4-[(2-cyanoethylamino)-oxomethyl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide IUPAC Name: 3-[4-(2-cyanoethylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide Traditional Name: 3-[4-(2-cyanoethylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide Formula: C21H20FN3O2 MolecularWeight: 365.400803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=CC=C(C=C2)C(=O)NCCC#N)C(=O)NC3CC3)F

Isomeric SMILES

CC1=C(C=C(C=C1C2=CC=C(C=C2)C(=O)NCCC#N)C(=O)NC3CC3)F

InChI

InChI=1S/C21H20FN3O2/c1-13-18(11-16(12-19(13)22)21(27)25-17-7-8-17)14-3-5-15(6-4-14)20(26)24-10-2-9-23/h3-6,11-12,17H,2,7-8,10H2,1H3,(H,24,26)(H,25,27)