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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCC2CCCC3=C2C=NN3C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCN(CC1)CCC2CCCC3=C2C=NN3C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

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