3-[3-(2-cyanopropyl)-5-fluoranyl-2-methyl-4-pyridin-3-yl-phenyl]-2-methyl-propanenitrile

Systemtic Name: 3-[3-(2-cyanopropyl)-5-fluoranyl-2-methyl-4-pyridin-3-yl-phenyl]-2-methyl-propanenitrile Openeye Name: 3-[3-(2-cyanopropyl)-5-fluoro-2-methyl-4-(3-pyridyl)phenyl]-2-methyl-propanenitrile CAS Name: 3-[3-(2-cyanopropyl)-5-fluoro-2-methyl-4-(3-pyridinyl)phenyl]-2-methylpropanenitrile IUPAC Name: 3-[3-(2-cyanopropyl)-5-fluoro-2-methyl-4-pyridin-3-ylphenyl]-2-methylpropanenitrile Traditional Name: 3-[3-(2-cyanopropyl)-5-fluoro-2-methyl-4-(3-pyridyl)phenyl]-2-methyl-propionitrile Formula: C20H20FN3 MolecularWeight: 321.391303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CC(C)C#N)F)C2=CN=CC=C2)CC(C)C#N

Isomeric SMILES

CC1=C(C(=C(C=C1CC(C)C#N)F)C2=CN=CC=C2)CC(C)C#N

InChI

InChI=1S/C20H20FN3/c1-13(10-22)7-17-9-19(21)20(16-5-4-6-24-12-16)18(15(17)3)8-14(2)11-23/h4-6,9,12-14H,7-8H2,1-3H3