(2S)-N-(5-azanyl-2-fluoranyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-fluoranyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide Openeye Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-[bis(cyanomethyl)amino]propanamide CAS Name: (2S)-N-(5-amino-2-fluorophenyl)-2-[bis(cyanomethyl)amino]propanamide IUPAC Name: (2S)-N-(5-amino-2-fluorophenyl)-2-[bis(cyanomethyl)amino]propanamide Traditional Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-[bis(cyanomethyl)amino]propionamide Formula: C13H14FN5O MolecularWeight: 275.281563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)N)F)N(CC#N)CC#N

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)N)F)N(CC#N)CC#N

InChI

InChI=1S/C13H14FN5O/c1-9(19(6-4-15)7-5-16)13(20)18-12-8-10(17)2-3-11(12)14/h2-3,8-9H,6-7,17H2,1H3,(H,18,20)/t9-/m0/s1