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

Systemtic Name: ethanedioic acid; 1-(1-ethylpyrrolidin-2-yl)-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]methanamine Openeye Name: 1-(1-ethylpyrrolidin-2-yl)-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]methanamine; oxalic acid CAS Name: 1-(1-ethyl-2-pyrrolidinyl)-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(1-ethylpyrrolidin-2-yl)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]methanamine; oxalic acid Traditional Name: (1-ethylpyrrolidin-2-yl)methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C25H30N4O8S MolecularWeight: 546.5927

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCCC1CNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N4S.2C2H2O4/c1-2-24-12-6-10-19(24)15-22-14-17-16-25(18-8-4-3-5-9-18)23-21(17)20-11-7-13-26-20;2*3-1(4)2(5)6/h3-5,7-9,11,13,16,19,22H,2,6,10,12,14-15H2,1H3;2*(H,3,4)(H,5,6)