ethanedioic acid; N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: ethanedioic acid; N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide; oxalic acid CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide; oxalic acid Traditional Name: N-(3-keto-1,1-dimethyl-butyl)-3-[4-(2-pyridyl)piperazino]propionamide; oxalic acid Formula: C20H30N4O6 MolecularWeight: 422.4754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)C2=CC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)C2=CC=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N4O2.C2H2O4/c1-15(23)14-18(2,3)20-17(24)7-9-21-10-12-22(13-11-21)16-6-4-5-8-19-16;3-1(4)2(5)6/h4-6,8H,7,9-14H2,1-3H3,(H,20,24);(H,3,4)(H,5,6)