ethanedioic acid; 5-(1-methyl-4-phenyl-piperidin-4-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole

Systemtic Name: ethanedioic acid; 5-(1-methyl-4-phenyl-piperidin-4-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole Openeye Name: 5-(1-methyl-4-phenyl-4-piperidyl)-3-(1-naphthyl)-1,2,4-oxadiazole; oxalic acid CAS Name: 5-(1-methyl-4-phenyl-4-piperidinyl)-3-(1-naphthalenyl)-1,2,4-oxadiazole; oxalic acid IUPAC Name: 5-(1-methyl-4-phenylpiperidin-4-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole; oxalic acid Traditional Name: 5-(1-methyl-4-phenyl-4-piperidyl)-3-(1-naphthyl)-1,2,4-oxadiazole; oxalic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C2=CC=CC=C2)C3=NC(=NO3)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)(C2=CC=CC=C2)C3=NC(=NO3)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H23N3O.C2H2O4/c1-27-16-14-24(15-17-27,19-10-3-2-4-11-19)23-25-22(26-28-23)21-13-7-9-18-8-5-6-12-20(18)21;3-1(4)2(5)6/h2-13H,14-17H2,1H3;(H,3,4)(H,5,6)