N-(1-cyanocyclohexyl)-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide; ethanedioic acid

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide; ethanedioic acid Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-pyridyl)piperazin-1-yl]acetamide; oxalic acid CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-pyridinyl)-1-piperazinyl]acetamide; oxalic acid IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-pyridyl)piperazino]acetamide; oxalic acid Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CN1CCN(CC1)C2=CC=CC=N2)C3(CCCCC3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C(=O)CN1CCN(CC1)C2=CC=CC=N2)C3(CCCCC3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27N5O.C2H2O4/c1-22(19(16-20)8-4-2-5-9-19)18(25)15-23-11-13-24(14-12-23)17-7-3-6-10-21-17;3-1(4)2(5)6/h3,6-7,10H,2,4-5,8-9,11-15H2,1H3;(H,3,4)(H,5,6)