ethanedioic acid; 4-[2-(4-ethylpiperazin-1-yl)ethoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-[2-(4-ethylpiperazin-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-ethylpiperazin-1-yl)ethoxy]benzonitrile; oxalic acid CAS Name: 4-[2-(4-ethyl-1-piperazinyl)ethoxy]benzonitrile; oxalic acid IUPAC Name: 4-[2-(4-ethylpiperazin-1-yl)ethoxy]benzonitrile; oxalic acid Traditional Name: 4-[2-(4-ethylpiperazino)ethoxy]benzonitrile; oxalic acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCOC2=CC=C(C=C2)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCOC2=CC=C(C=C2)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21N3O.C2H2O4/c1-2-17-7-9-18(10-8-17)11-12-19-15-5-3-14(13-16)4-6-15;3-1(4)2(5)6/h3-6H,2,7-12H2,1H3;(H,3,4)(H,5,6)