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

Systemtic Name: N-(3-azanyl-4-fluoranyl-phenyl)-4-[bis(cyanomethyl)amino]butanamide Openeye Name: N-(3-amino-4-fluoro-phenyl)-4-[bis(cyanomethyl)amino]butanamide CAS Name: N-(3-amino-4-fluorophenyl)-4-[bis(cyanomethyl)amino]butanamide IUPAC Name: N-(3-amino-4-fluorophenyl)-4-[bis(cyanomethyl)amino]butanamide Traditional Name: N-(3-amino-4-fluoro-phenyl)-4-[bis(cyanomethyl)amino]butyramide Formula: C14H16FN5O MolecularWeight: 289.308143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16FN5O/c15-12-4-3-11(10-13(12)18)19-14(21)2-1-7-20(8-5-16)9-6-17/h3-4,10H,1-2,7-9,18H2,(H,19,21)