1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]methanamine; oxalic acid CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]methanamine; oxalic acid IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine; oxalic acid Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNCC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNCC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H22N4O2.C2H2O4/c1-2-8-20(9-3-1)28-16-19(24(27-28)18-7-6-12-25-13-18)14-26-15-21-17-29-22-10-4-5-11-23(22)30-21;3-1(4)2(5)6/h1-13,16,21,26H,14-15,17H2;(H,3,4)(H,5,6)