ethanedioic acid; 3-imidazol-1-yl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]propan-1-amine

Systemtic Name: ethanedioic acid; 3-imidazol-1-yl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]propan-1-amine Openeye Name: 3-imidazol-1-yl-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]propan-1-amine; oxalic acid CAS Name: 3-(1-imidazolyl)-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-propanamine; oxalic acid IUPAC Name: 3-imidazol-1-yl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propan-1-amine; oxalic acid Traditional Name: 3-imidazol-1-ylpropyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21N5S.C2H2O4/c1-2-6-18(7-3-1)25-15-17(20(23-25)19-8-4-13-26-19)14-21-9-5-11-24-12-10-22-16-24;3-1(4)2(5)6/h1-4,6-8,10,12-13,15-16,21H,5,9,11,14H2;(H,3,4)(H,5,6)