N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethanamine; ethanedioic acid

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethanamine; ethanedioic acid Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(2-furyl)-2-pyrrolidin-1-yl-ethanamine; oxalic acid CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-(2-furanyl)-2-(1-pyrrolidinyl)ethanamine; oxalic acid IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine; oxalic acid Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-(2-furyl)-2-pyrrolidino-ethyl]amine; oxalic acid Formula: C26H32N4O9 MolecularWeight: 544.55368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNCC(C3=CC=CO3)N4CCCC4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNCC(C3=CC=CO3)N4CCCC4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N4O.2C2H2O4/c1-17-20(18(2)26(24-17)19-9-4-3-5-10-19)15-23-16-21(22-11-8-14-27-22)25-12-6-7-13-25;2*3-1(4)2(5)6/h3-5,8-11,14,21,23H,6-7,12-13,15-16H2,1-2H3;2*(H,3,4)(H,5,6)