benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate

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benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate

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Catalog Number	PR2158302011
CAS	2158302-01-1
IUPAC Name	benzyl (2S)-2-(cyanomethyl)piperazine-1-carboxylate
Molecular Weight	259.3037
Molecular Formula	C₁₄H₁₇N₃O₂
Canonical SMILES	N#CC[C@H]1CNCCN1C(OCC2=CC=CC=C2)=O
InChI	InChI=1S/C14H17N3O2/c15-7-6-13-10-16-8-9-17(13)14(18)19-11-12-4-2-1-3-5-12/h1-5,13,16H,6,8-11H2/t13-/m0/s1
InChI Key	QSKMFYCQRQLYMF-ZDUSSCGKSA-N
Isomeric SMILES	C1CN([C@H](CN1)CC#N)C(=O)OCC2=CC=CC=C2

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