ethanedioic acid; (4-propan-2-ylpiperazin-1-yl)-pyridin-3-yl-methanone

Systemtic Name: ethanedioic acid; (4-propan-2-ylpiperazin-1-yl)-pyridin-3-yl-methanone Openeye Name: (4-isopropylpiperazin-1-yl)-(3-pyridyl)methanone; oxalic acid CAS Name: oxalic acid; (4-propan-2-yl-1-piperazinyl)-(3-pyridinyl)methanone IUPAC Name: oxalic acid; (4-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone Traditional Name: (4-isopropylpiperazino)-(3-pyridyl)methanone; oxalic acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N3O.C2H2O4/c1-11(2)15-6-8-16(9-7-15)13(17)12-4-3-5-14-10-12;3-1(4)2(5)6/h3-5,10-11H,6-9H2,1-2H3;(H,3,4)(H,5,6)