3-fluoranyl-4-(4-methylpentan-2-ylamino)benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-(4-methylpentan-2-ylamino)benzenecarbonitrile Openeye Name: 4-(1,3-dimethylbutylamino)-3-fluoro-benzonitrile CAS Name: 3-fluoro-4-(4-methylpentan-2-ylamino)benzonitrile IUPAC Name: 3-fluoro-4-(4-methylpentan-2-ylamino)benzonitrile Traditional Name: 4-(1,3-dimethylbutylamino)-3-fluoro-benzonitrile Formula: C13H17FN2 MolecularWeight: 220.285883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

CC(C)CC(C)NC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C13H17FN2/c1-9(2)6-10(3)16-13-5-4-11(8-15)7-12(13)14/h4-5,7,9-10,16H,6H2,1-3H3