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

Systemtic Name: ethanedioic acid; 4-(2-isoindol-2-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazole Openeye Name: 4-(2-isoindol-2-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazole; oxalic acid CAS Name: 4-[2-(2-isoindolyl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole; oxalic acid IUPAC Name: 4-(2-isoindol-2-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazole; oxalic acid Traditional Name: 4-(2-isoindol-2-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazole; oxalic acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)CCN4C=C5C=CC=CC5=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)CCN4C=C5C=CC=CC5=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H23N3.C2H2O4/c1-2-10-21(11-3-1)26-23-12-6-9-18(22(23)15-24-26)13-14-25-16-19-7-4-5-8-20(19)17-25;3-1(4)2(5)6/h1-5,7-8,10-11,15-18H,6,9,12-14H2;(H,3,4)(H,5,6)