phenyl N-cyano-N'-pentyl-carbamimidate

Systemtic Name: phenyl N-cyano-N'-pentyl-carbamimidate Openeye Name: 1-cyano-3-pentyl-2-phenyl-isourea CAS Name: N-cyano-N'-pentylcarbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-pentylcarbamimidate Traditional Name: 3-amyl-1-cyano-2-phenyl-isourea Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(NC#N)OC1=CC=CC=C1

Isomeric SMILES

CCCCCN=C(NC#N)OC1=CC=CC=C1

InChI

InChI=1S/C13H17N3O/c1-2-3-7-10-15-13(16-11-14)17-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16)