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

Systemtic Name: 4-[1-azanyl-1-[3-(2-cyclopropylethynyl)imidazol-4-yl]ethyl]-2-fluoranyl-benzenecarbonitrile dihydrochloride Openeye Name: 4-[1-amino-1-[3-(2-cyclopropylethynyl)imidazol-4-yl]ethyl]-2-fluoro-benzonitrile dihydrochloride CAS Name: 4-[1-amino-1-[3-(2-cyclopropylethynyl)-4-imidazolyl]ethyl]-2-fluorobenzonitrile dihydrochloride IUPAC Name: 4-[1-amino-1-[3-(2-cyclopropylethynyl)imidazol-4-yl]ethyl]-2-fluorobenzonitrile dihydrochloride Traditional Name: 4-[1-amino-1-[3-(2-cyclopropylethynyl)imidazol-4-yl]ethyl]-2-fluoro-benzonitrile dihydrochloride Formula: C17H17Cl2FN4 MolecularWeight: 367.248083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C#N)F)(C2=CN=CN2C#CC3CC3)N.Cl.Cl

Isomeric SMILES

CC(C1=CC(=C(C=C1)C#N)F)(C2=CN=CN2C#CC3CC3)N.Cl.Cl

InChI

InChI=1S/C17H15FN4.2ClH/c1-17(20,14-5-4-13(9-19)15(18)8-14)16-10-21-11-22(16)7-6-12-2-3-12;;/h4-5,8,10-12H,2-3,20H2,1H3;2*1H