ethanedioic acid; N-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethanamine

Systemtic Name: ethanedioic acid; N-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethanamine Openeye Name: oxalic acid; N-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]-2-pyrrolidin-1-yl-2-(2-thienyl)ethanamine CAS Name: oxalic acid; N-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-2-(1-pyrrolidinyl)-2-thiophen-2-ylethanamine IUPAC Name: oxalic acid; N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine Traditional Name: oxalic acid; [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl-[2-pyrrolidino-2-(2-thienyl)ethyl]amine Formula: C29H31N5O8S MolecularWeight: 609.65014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNCC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C5=CC=CS5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C(CNCC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C5=CC=CS5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27N5S.2C2H2O4/c1-2-9-22(10-3-1)30-19-21(25(28-30)20-8-6-12-26-16-20)17-27-18-23(24-11-7-15-31-24)29-13-4-5-14-29;2*3-1(4)2(5)6/h1-3,6-12,15-16,19,23,27H,4-5,13-14,17-18H2;2*(H,3,4)(H,5,6)