ethanedioic acid; 2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carbonitrile

Systemtic Name: ethanedioic acid; 2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carbonitrile; oxalic acid CAS Name: 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinecarbonitrile; oxalic acid IUPAC Name: 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile; oxalic acid Traditional Name: 2-(4-methyl-2-phenyl-piperazino)nicotinonitrile; oxalic acid Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N4.C2H2O4/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14;3-1(4)2(5)6/h2-9,16H,10-11,13H2,1H3;(H,3,4)(H,5,6)