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

Systemtic Name: 3-[4-(2-cyanobutan-2-ylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoranyl-4-methyl-benzamide Openeye Name: 3-[4-[(1-cyano-1-methyl-propyl)carbamoyl]phenyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide CAS Name: 3-[4-[(2-cyanobutan-2-ylamino)-oxomethyl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide IUPAC Name: 3-[4-(2-cyanobutan-2-ylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide Traditional Name: 3-[4-[(1-cyano-1-methyl-propyl)carbamoyl]phenyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide Formula: C23H24FN3O2 MolecularWeight: 393.453963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#N)NC(=O)C1=CC=C(C=C1)C2=CC(=CC(=C2C)F)C(=O)NC3CC3

Isomeric SMILES

CCC(C)(C#N)NC(=O)C1=CC=C(C=C1)C2=CC(=CC(=C2C)F)C(=O)NC3CC3

InChI

InChI=1S/C23H24FN3O2/c1-4-23(3,13-25)27-22(29)16-7-5-15(6-8-16)19-11-17(12-20(24)14(19)2)21(28)26-18-9-10-18/h5-8,11-12,18H,4,9-10H2,1-3H3,(H,26,28)(H,27,29)