phenyl N-cyano-N'-(3-pyridin-2-ylpropyl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(3-pyridin-2-ylpropyl)carbamimidate Openeye Name: 1-cyano-2-phenyl-3-[3-(2-pyridyl)propyl]isourea CAS Name: N-cyano-N'-[3-(2-pyridinyl)propyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(3-pyridin-2-ylpropyl)carbamimidate Traditional Name: 1-cyano-2-phenyl-3-[3-(2-pyridyl)propyl]isourea Formula: C16H16N4O MolecularWeight: 280.32444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NCCCC2=CC=CC=N2)NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NCCCC2=CC=CC=N2)NC#N

InChI

InChI=1S/C16H16N4O/c17-13-20-16(21-15-9-2-1-3-10-15)19-12-6-8-14-7-4-5-11-18-14/h1-5,7,9-11H,6,8,12H2,(H,19,20)