ethanedioic acid; (3E)-3-(2-methylindol-3-ylidene)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole

Systemtic Name: ethanedioic acid; (3E)-3-(2-methylindol-3-ylidene)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole Openeye Name: (3E)-3-(2-methylindol-3-ylidene)-5-(1-methyl-4-piperidyl)-1,2,4-oxadiazole; oxalic acid CAS Name: (3E)-3-(2-methyl-3-indolylidene)-5-(1-methyl-4-piperidinyl)-1,2,4-oxadiazole; oxalic acid IUPAC Name: (3E)-3-(2-methylindol-3-ylidene)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole; oxalic acid Traditional Name: (3E)-3-(2-methylindol-3-ylidene)-5-(1-methyl-4-piperidyl)-1,2,4-oxadiazole; oxalic acid Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C1=C3NOC(=N3)C4CCN(CC4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC\1=NC2=CC=CC=C2/C1=C/3\NOC(=N3)C4CCN(CC4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N4O.C2H2O4/c1-11-15(13-5-3-4-6-14(13)18-11)16-19-17(22-20-16)12-7-9-21(2)10-8-12;3-1(4)2(5)6/h3-6,12,20H,7-10H2,1-2H3;(H,3,4)(H,5,6)/b16-15-;