ethanedioic acid; 2-[4-(phenylmethyl)piperazin-1-yl]ethanenitrile

Systemtic Name: ethanedioic acid; 2-[4-(phenylmethyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-(4-benzylpiperazin-1-yl)acetonitrile; oxalic acid CAS Name: oxalic acid; 2-[4-(phenylmethyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-(4-benzylpiperazin-1-yl)acetonitrile; oxalic acid Traditional Name: 2-(4-benzylpiperazino)acetonitrile; oxalic acid Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC#N)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17N3.C2H2O4/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13;3-1(4)2(5)6/h1-5H,7-12H2;(H,3,4)(H,5,6)