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

Systemtic Name: ethanedioic acid; naphthalen-1-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: 1-naphthyl-[4-(2-pyridylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: 1-naphthalenyl-[4-(2-pyridinylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: naphthalen-1-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: 1-naphthyl-[4-(2-pyridylmethyl)piperazino]methanone; oxalic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H21N3O.C2H2O4/c25-21(20-10-5-7-17-6-1-2-9-19(17)20)24-14-12-23(13-15-24)16-18-8-3-4-11-22-18;3-1(4)2(5)6/h1-11H,12-16H2;(H,3,4)(H,5,6)