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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]methanamine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]methanamine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine; oxalic acid Traditional Name: oxalic acid; [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl-piperonyl-amine Formula: C25H22N4O6 MolecularWeight: 474.46538

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H20N4O2.C2H2O4/c1-2-6-20(7-3-1)27-15-19(23(26-27)18-5-4-10-24-13-18)14-25-12-17-8-9-21-22(11-17)29-16-28-21;3-1(4)2(5)6/h1-11,13,15,25H,12,14,16H2;(H,3,4)(H,5,6)