ethanedioic acid; 2-(4-methyl-2-phenyl-piperazin-1-yl)benzenecarbonitrile

Systemtic Name: ethanedioic acid; 2-(4-methyl-2-phenyl-piperazin-1-yl)benzenecarbonitrile Openeye Name: 2-(4-methyl-2-phenyl-piperazin-1-yl)benzonitrile; oxalic acid CAS Name: 2-(4-methyl-2-phenyl-1-piperazinyl)benzonitrile; oxalic acid IUPAC Name: 2-(4-methyl-2-phenylpiperazin-1-yl)benzonitrile; oxalic acid Traditional Name: 2-(4-methyl-2-phenyl-piperazino)benzonitrile; oxalic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C3=CC=CC=C3C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C3=CC=CC=C3C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3.C2H2O4/c1-20-11-12-21(17-10-6-5-9-16(17)13-19)18(14-20)15-7-3-2-4-8-15;3-1(4)2(5)6/h2-10,18H,11-12,14H2,1H3;(H,3,4)(H,5,6)