1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine; ethanedioic acid

Systemtic Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine; oxalic acid Formula: C25H28N4O6 MolecularWeight: 480.51302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N4O2.C2H2O4/c1-25-9-11-26(12-10-25)16-19-17-27(20-5-3-2-4-6-20)24-23(19)18-7-8-21-22(15-18)29-14-13-28-21;3-1(4)2(5)6/h2-8,15,17H,9-14,16H2,1H3;(H,3,4)(H,5,6)