N-(3-azanyl-4-fluoranyl-phenyl)-2-[bis(cyanomethyl)amino]ethanamide

Systemtic Name: N-(3-azanyl-4-fluoranyl-phenyl)-2-[bis(cyanomethyl)amino]ethanamide Openeye Name: N-(3-amino-4-fluoro-phenyl)-2-[bis(cyanomethyl)amino]acetamide CAS Name: N-(3-amino-4-fluorophenyl)-2-[bis(cyanomethyl)amino]acetamide IUPAC Name: N-(3-amino-4-fluorophenyl)-2-[bis(cyanomethyl)amino]acetamide Traditional Name: N-(3-amino-4-fluoro-phenyl)-2-[bis(cyanomethyl)amino]acetamide Formula: C12H12FN5O MolecularWeight: 261.254983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CN(CC#N)CC#N)N)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CN(CC#N)CC#N)N)F

InChI

InChI=1S/C12H12FN5O/c13-10-2-1-9(7-11(10)16)17-12(19)8-18(5-3-14)6-4-15/h1-2,7H,5-6,8,16H2,(H,17,19)