4-[[5-(butylaminomethyl)imidazol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[5-(butylaminomethyl)imidazol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[5-(butylaminomethyl)imidazol-1-yl]methyl]-2-fluoro-benzonitrile CAS Name: 4-[[5-(butylaminomethyl)-1-imidazolyl]methyl]-2-fluorobenzonitrile IUPAC Name: 4-[[5-(butylaminomethyl)imidazol-1-yl]methyl]-2-fluorobenzonitrile Traditional Name: 4-[[5-(butylaminomethyl)imidazol-1-yl]methyl]-2-fluoro-benzonitrile Formula: C16H19FN4 MolecularWeight: 286.347263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CN=CN1CC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CCCCNCC1=CN=CN1CC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C16H19FN4/c1-2-3-6-19-9-15-10-20-12-21(15)11-13-4-5-14(8-18)16(17)7-13/h4-5,7,10,12,19H,2-3,6,9,11H2,1H3