ethanedioic acid; 2-naphthalen-2-yloxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-naphthalen-2-yloxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-naphthyloxy)-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(2-naphthalenyloxy)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-naphthalen-2-yloxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(2-naphthoxy)-1-[4-(3-pyridylmethyl)piperazino]ethanone; oxalic acid Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H23N3O2.C2H2O4/c26-22(17-27-21-8-7-19-5-1-2-6-20(19)14-21)25-12-10-24(11-13-25)16-18-4-3-9-23-15-18;3-1(4)2(5)6/h1-9,14-15H,10-13,16-17H2;(H,3,4)(H,5,6)