ethanedioic acid; 4-[3-(4-ethylpiperazin-1-yl)propoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-[3-(4-ethylpiperazin-1-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[3-(4-ethylpiperazin-1-yl)propoxy]benzonitrile; oxalic acid CAS Name: 4-[3-(4-ethyl-1-piperazinyl)propoxy]benzonitrile; oxalic acid IUPAC Name: 4-[3-(4-ethylpiperazin-1-yl)propoxy]benzonitrile; oxalic acid Traditional Name: 4-[3-(4-ethylpiperazino)propoxy]benzonitrile; oxalic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCOC2=CC=C(C=C2)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCOC2=CC=C(C=C2)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O.C2H2O4/c1-2-18-9-11-19(12-10-18)8-3-13-20-16-6-4-15(14-17)5-7-16;3-1(4)2(5)6/h4-7H,2-3,8-13H2,1H3;(H,3,4)(H,5,6)