ethanedioic acid; 1-(1-ethylpyrrolidin-2-yl)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]methanamine

Systemtic Name: ethanedioic acid; 1-(1-ethylpyrrolidin-2-yl)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]methanamine Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine; oxalic acid CAS Name: 1-(1-ethyl-2-pyrrolidinyl)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]methanamine; oxalic acid IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine; oxalic acid Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-[(1-ethylpyrrolidin-2-yl)methyl]amine; oxalic acid Formula: C28H34N4O8 MolecularWeight: 554.59156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCCC1CNCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N4.2C2H2O4/c1-2-27-15-9-14-23(27)17-25-16-22-19-28(18-20-10-5-3-6-11-20)26-24(22)21-12-7-4-8-13-21;2*3-1(4)2(5)6/h3-8,10-13,19,23,25H,2,9,14-18H2,1H3;2*(H,3,4)(H,5,6)