ethanedioic acid; 1-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole

Systemtic Name: ethanedioic acid; 1-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole Openeye Name: oxalic acid; 1-phenyl-4-[2-(4-phenyl-1-piperidyl)ethyl]-4,5,6,7-tetrahydroindazole CAS Name: oxalic acid; 1-phenyl-4-[2-(4-phenyl-1-piperidinyl)ethyl]-4,5,6,7-tetrahydroindazole IUPAC Name: oxalic acid; 1-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole Traditional Name: oxalic acid; 1-phenyl-4-[2-(4-phenylpiperidino)ethyl]-4,5,6,7-tetrahydroindazole Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)CCN4CCC(CC4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)CCN4CCC(CC4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N3.C2H2O4/c1-3-8-21(9-4-1)22-14-17-28(18-15-22)19-16-23-10-7-13-26-25(23)20-27-29(26)24-11-5-2-6-12-24;3-1(4)2(5)6/h1-6,8-9,11-12,20,22-23H,7,10,13-19H2;(H,3,4)(H,5,6)