ethanedioic acid; 3-(1-methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole

Systemtic Name: ethanedioic acid; 3-(1-methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole Openeye Name: 3-(1-methylindol-3-yl)-5-[2-(1-piperidyl)ethyl]-1,2,4-oxadiazole; oxalic acid CAS Name: 3-(1-methyl-3-indolyl)-5-[2-(1-piperidinyl)ethyl]-1,2,4-oxadiazole; oxalic acid IUPAC Name: 3-(1-methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole; oxalic acid Traditional Name: 3-(1-methylindol-3-yl)-5-(2-piperidinoethyl)-1,2,4-oxadiazole; oxalic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NOC(=N3)CCN4CCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NOC(=N3)CCN4CCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N4O.C2H2O4/c1-21-13-15(14-7-3-4-8-16(14)21)18-19-17(23-20-18)9-12-22-10-5-2-6-11-22;3-1(4)2(5)6/h3-4,7-8,13H,2,5-6,9-12H2,1H3;(H,3,4)(H,5,6)