phenyl N-cyano-N'-[2-(1H-indol-3-yl)ethyl]carbamimidate

Systemtic Name: phenyl N-cyano-N'-[2-(1H-indol-3-yl)ethyl]carbamimidate Openeye Name: 1-cyano-3-[2-(1H-indol-3-yl)ethyl]-2-phenyl-isourea CAS Name: N-cyano-N'-[2-(1H-indol-3-yl)ethyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[2-(1H-indol-3-yl)ethyl]carbamimidate Traditional Name: 1-cyano-3-[2-(1H-indol-3-yl)ethyl]-2-phenyl-isourea Formula: C18H16N4O MolecularWeight: 304.34584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NCCC2=CNC3=CC=CC=C32)NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NCCC2=CNC3=CC=CC=C32)NC#N

InChI

InChI=1S/C18H16N4O/c19-13-22-18(23-15-6-2-1-3-7-15)20-11-10-14-12-21-17-9-5-4-8-16(14)17/h1-9,12,21H,10-11H2,(H,20,22)