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

Systemtic Name: 4-[[5-(2-azanylethyl)imidazol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile dihydrochloride Openeye Name: 4-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-2-fluoro-benzonitrile dihydrochloride CAS Name: 4-[[5-(2-aminoethyl)-1-imidazolyl]methyl]-2-fluorobenzonitrile dihydrochloride IUPAC Name: 4-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-2-fluorobenzonitrile dihydrochloride Traditional Name: 4-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-2-fluoro-benzonitrile dihydrochloride Formula: C13H15Cl2FN4 MolecularWeight: 317.189403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=NC=C2CCN)F)C#N.Cl.Cl

Isomeric SMILES

C1=CC(=C(C=C1CN2C=NC=C2CCN)F)C#N.Cl.Cl

InChI

InChI=1S/C13H13FN4.2ClH/c14-13-5-10(1-2-11(13)6-16)8-18-9-17-7-12(18)3-4-15;;/h1-2,5,7,9H,3-4,8,15H2;2*1H