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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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