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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2/c1-3-4-10(2)16-9-12-6-5-11(8-15)7-13(12)14/h5-7,10,16H,3-4,9H2,1-2H3