4-[1-azanyl-1-(3-methylimidazol-4-yl)ethyl]-2-fluoranyl-benzenecarbonitrile dihydrochloride

Systemtic Name: 4-[1-azanyl-1-(3-methylimidazol-4-yl)ethyl]-2-fluoranyl-benzenecarbonitrile dihydrochloride Openeye Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-fluoro-benzonitrile dihydrochloride CAS Name: 4-[1-amino-1-(3-methyl-4-imidazolyl)ethyl]-2-fluorobenzonitrile dihydrochloride IUPAC Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-fluorobenzonitrile dihydrochloride Traditional Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-fluoro-benzonitrile dihydrochloride Formula: C13H15Cl2FN4 MolecularWeight: 317.189403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C#N)F)(C2=CN=CN2C)N.Cl.Cl

Isomeric SMILES

CC(C1=CC(=C(C=C1)C#N)F)(C2=CN=CN2C)N.Cl.Cl

InChI

InChI=1S/C13H13FN4.2ClH/c1-13(16,12-7-17-8-18(12)2)10-4-3-9(6-15)11(14)5-10;;/h3-5,7-8H,16H2,1-2H3;2*1H