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

Systemtic Name: ethanedioic acid; naphthalen-1-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: 1-naphthyl-[4-(3-pyridylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: 1-naphthalenyl-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: naphthalen-1-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: 1-naphthyl-[4-(3-pyridylmethyl)piperazino]methanone; oxalic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

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