3-fluoranyl-4-[(3-methylbutan-2-ylamino)methyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[(3-methylbutan-2-ylamino)methyl]benzenecarbonitrile Openeye Name: 4-[(1,2-dimethylpropylamino)methyl]-3-fluoro-benzonitrile CAS Name: 3-fluoro-4-[(3-methylbutan-2-ylamino)methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(3-methylbutan-2-ylamino)methyl]benzonitrile Traditional Name: 4-[(1,2-dimethylpropylamino)methyl]-3-fluoro-benzonitrile Formula: C13H17FN2 MolecularWeight: 220.285883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NCC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

CC(C)C(C)NCC1=C(C=C(C=C1)C#N)F

InChI

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