ethanedioic acid; N-[(1-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethanamine

Systemtic Name: ethanedioic acid; N-[(1-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethanamine Openeye Name: oxalic acid; N-[(1-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-1-yl-2-(2-thienyl)ethanamine CAS Name: oxalic acid; N-[(1-phenyl-4-pyrazolyl)methyl]-2-(1-pyrrolidinyl)-2-thiophen-2-ylethanamine IUPAC Name: oxalic acid; N-[(1-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine Traditional Name: oxalic acid; (1-phenylpyrazol-4-yl)methyl-[2-pyrrolidino-2-(2-thienyl)ethyl]amine Formula: C24H28N4O8S MolecularWeight: 532.56612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CS4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C(CNCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CS4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N4S.2C2H2O4/c1-2-7-18(8-3-1)24-16-17(14-22-24)13-21-15-19(20-9-6-12-25-20)23-10-4-5-11-23;2*3-1(4)2(5)6/h1-3,6-9,12,14,16,19,21H,4-5,10-11,13,15H2;2*(H,3,4)(H,5,6)