phenyl N-cyano-N'-(3-pyridin-4-ylpropyl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(3-pyridin-4-ylpropyl)carbamimidate Openeye Name: 1-cyano-2-phenyl-3-[3-(4-pyridyl)propyl]isourea CAS Name: N-cyano-N'-(3-pyridin-4-ylpropyl)carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(3-pyridin-4-ylpropyl)carbamimidate Traditional Name: 1-cyano-2-phenyl-3-[3-(4-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=CC=NC=C2)NC#N

Isomeric SMILES

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

InChI

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