N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-yl-ethanamine; ethanedioic acid

Systemtic Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-yl-ethanamine; ethanedioic acid Openeye Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-yl-ethanamine; oxalic acid CAS Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-phenyl-2-(1-pyrrolidinyl)ethanamine; oxalic acid IUPAC Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine; oxalic acid Traditional Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenyl-2-pyrrolidino-ethyl)amine; oxalic acid Formula: C26H29ClN4O8 MolecularWeight: 560.98346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNCC2=C(NN=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C(CNCC2=C(NN=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25ClN4.2C2H2O4/c23-20-10-8-18(9-11-20)22-19(15-25-26-22)14-24-16-21(27-12-4-5-13-27)17-6-2-1-3-7-17;2*3-1(4)2(5)6/h1-3,6-11,15,21,24H,4-5,12-14,16H2,(H,25,26);2*(H,3,4)(H,5,6)