ethanedioic acid; furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-(3-pyridylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: 2-furanyl-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: furan-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: 2-furyl-[4-(3-pyridylmethyl)piperazino]methanone; oxalic acid Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

InChI

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