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

Systemtic Name: 4-[1-azanyl-1-(3-methylimidazol-4-yl)ethyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-fluoro-benzonitrile CAS Name: 4-[1-amino-1-(3-methyl-4-imidazolyl)ethyl]-2-fluorobenzonitrile IUPAC Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-fluorobenzonitrile Traditional Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-fluoro-benzonitrile Formula: C13H13FN4 MolecularWeight: 244.267523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN4/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