ethanedioic acid; [4-(furan-2-ylmethyl)piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: ethanedioic acid; [4-(furan-2-ylmethyl)piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(2-furylmethyl)piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-(2-furanylmethyl)-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-(furan-2-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: [4-(2-furfuryl)piperazino]-(4-pyridyl)methanone; oxalic acid Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17N3O2.C2H2O4/c19-15(13-3-5-16-6-4-13)18-9-7-17(8-10-18)12-14-2-1-11-20-14;3-1(4)2(5)6/h1-6,11H,7-10,12H2;(H,3,4)(H,5,6)