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

Systemtic Name: ethanedioic acid; phenyl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: oxalic acid; phenyl-[4-(3-pyridylmethyl)piperazin-1-yl]methanone CAS Name: oxalic acid; phenyl-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: oxalic acid; phenyl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: oxalic acid; phenyl-[4-(3-pyridylmethyl)piperazino]methanone Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O.C2H2O4/c21-17(16-6-2-1-3-7-16)20-11-9-19(10-12-20)14-15-5-4-8-18-13-15;3-1(4)2(5)6/h1-8,13H,9-12,14H2;(H,3,4)(H,5,6)