3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-fluoranyl-5-methyl-phenyl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-fluoranyl-5-methyl-phenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-fluoro-5-methyl-phenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(2-fluoro-5-methylphenyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-fluoro-5-methylphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-fluoro-5-methyl-phenyl)propionamide Formula: C18H21FN4O MolecularWeight: 328.383943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

InChI

InChI=1S/C18H21FN4O/c1-12-5-7-16(19)17(11-12)21-18(24)8-6-15-13(2)22-23(14(15)3)10-4-9-20/h5,7,11H,4,6,8,10H2,1-3H3,(H,21,24)