1-(1,3-benzodioxol-5-yl)-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]methanamine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]methanamine; oxalic acid Traditional Name: oxalic acid; [1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl-piperonyl-amine Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H19N3O2S.C2H2O4/c1-2-5-18(6-3-1)25-14-17(22(24-25)21-7-4-10-28-21)13-23-12-16-8-9-19-20(11-16)27-15-26-19;3-1(4)2(5)6/h1-11,14,23H,12-13,15H2;(H,3,4)(H,5,6)