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

Systemtic Name: ethanedioic acid; 4-[4-(4-ethylpiperazin-1-yl)butoxy]benzenecarbonitrile Openeye Name: 4-[4-(4-ethylpiperazin-1-yl)butoxy]benzonitrile; oxalic acid CAS Name: 4-[4-(4-ethyl-1-piperazinyl)butoxy]benzonitrile; oxalic acid IUPAC Name: 4-[4-(4-ethylpiperazin-1-yl)butoxy]benzonitrile; oxalic acid Traditional Name: 4-[4-(4-ethylpiperazino)butoxy]benzonitrile; oxalic acid Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCCOC2=CC=C(C=C2)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCCOC2=CC=C(C=C2)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O.C2H2O4/c1-2-19-10-12-20(13-11-19)9-3-4-14-21-17-7-5-16(15-18)6-8-17;3-1(4)2(5)6/h5-8H,2-4,9-14H2,1H3;(H,3,4)(H,5,6)