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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NCCCC2=CN=CC=C2)NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NCCCC2=CN=CC=C2)NC#N

InChI

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