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

Systemtic Name: ethanedioic acid; 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole Openeye Name: 1-methyl-4-[2-(4-phenyl-1-piperidyl)ethyl]-4,5,6,7-tetrahydroindazole; oxalic acid CAS Name: 1-methyl-4-[2-(4-phenyl-1-piperidinyl)ethyl]-4,5,6,7-tetrahydroindazole; oxalic acid IUPAC Name: 1-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole; oxalic acid Traditional Name: 1-methyl-4-[2-(4-phenylpiperidino)ethyl]-4,5,6,7-tetrahydroindazole; oxalic acid Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(CCC2)CCN3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C2=C(C=N1)C(CCC2)CCN3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29N3.C2H2O4/c1-23-21-9-5-8-19(20(21)16-22-23)12-15-24-13-10-18(11-14-24)17-6-3-2-4-7-17;3-1(4)2(5)6/h2-4,6-7,16,18-19H,5,8-15H2,1H3;(H,3,4)(H,5,6)