ethanedioic acid; N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]-1-propan-2-yl-indazole-3-carboxamide

Systemtic Name: ethanedioic acid; N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]-1-propan-2-yl-indazole-3-carboxamide Openeye Name: 1-isopropyl-N-[[1-(4-phenylbutyl)-4-piperidyl]methyl]indazole-3-carboxamide; oxalic acid CAS Name: oxalic acid; N-[[1-(4-phenylbutyl)-4-piperidinyl]methyl]-1-propan-2-yl-3-indazolecarboxamide IUPAC Name: oxalic acid; N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide Traditional Name: 1-isopropyl-N-[[1-(4-phenylbutyl)-4-piperidyl]methyl]indazole-3-carboxamide; oxalic acid Formula: C29H38N4O5 MolecularWeight: 522.63582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCN(CC3)CCCCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCN(CC3)CCCCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H36N4O.C2H2O4/c1-21(2)31-25-14-7-6-13-24(25)26(29-31)27(32)28-20-23-15-18-30(19-16-23)17-9-8-12-22-10-4-3-5-11-22;3-1(4)2(5)6/h3-7,10-11,13-14,21,23H,8-9,12,15-20H2,1-2H3,(H,28,32);(H,3,4)(H,5,6)