(2S)-N-(2-azanyl-4-fluoranyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide

Systemtic Name: (2S)-N-(2-azanyl-4-fluoranyl-phenyl)-2-[bis(cyanomethyl)amino]propanamide Openeye Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-[bis(cyanomethyl)amino]propanamide CAS Name: (2S)-N-(2-amino-4-fluorophenyl)-2-[bis(cyanomethyl)amino]propanamide IUPAC Name: (2S)-N-(2-amino-4-fluorophenyl)-2-[bis(cyanomethyl)amino]propanamide Traditional Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-[bis(cyanomethyl)amino]propionamide Formula: C13H14FN5O MolecularWeight: 275.281563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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