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

Systemtic Name: N-(3-azanyl-4-fluoranyl-phenyl)-3-[bis(cyanomethyl)amino]propanamide Openeye Name: N-(3-amino-4-fluoro-phenyl)-3-[bis(cyanomethyl)amino]propanamide CAS Name: N-(3-amino-4-fluorophenyl)-3-[bis(cyanomethyl)amino]propanamide IUPAC Name: N-(3-amino-4-fluorophenyl)-3-[bis(cyanomethyl)amino]propanamide Traditional Name: N-(3-amino-4-fluoro-phenyl)-3-[bis(cyanomethyl)amino]propionamide Formula: C13H14FN5O MolecularWeight: 275.281563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FN5O/c14-11-2-1-10(9-12(11)17)18-13(20)3-6-19(7-4-15)8-5-16/h1-2,9H,3,6-8,17H2,(H,18,20)