ethanedioic acid; 4-(2-isoindol-2-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole

Systemtic Name: ethanedioic acid; 4-(2-isoindol-2-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole Openeye Name: 4-(2-isoindol-2-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole; oxalic acid CAS Name: 4-[2-(2-isoindolyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazole; oxalic acid IUPAC Name: 4-(2-isoindol-2-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole; oxalic acid Traditional Name: 4-(2-isoindol-2-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole; oxalic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(CCC2)CCN3C=C4C=CC=CC4=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C2=C(C=N1)C(CCC2)CCN3C=C4C=CC=CC4=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3.C2H2O4/c1-20-18-8-4-7-14(17(18)11-19-20)9-10-21-12-15-5-2-3-6-16(15)13-21;3-1(4)2(5)6/h2-3,5-6,11-14H,4,7-10H2,1H3;(H,3,4)(H,5,6)