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

Systemtic Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-methoxy-propan-2-amine; ethanedioic acid Openeye Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-methoxy-propan-2-amine; oxalic acid CAS Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl]-1-methoxy-2-propanamine; oxalic acid IUPAC Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-methoxypropan-2-amine; oxalic acid Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-methoxy-1-methyl-ethyl)amine; oxalic acid Formula: C24H27N3O7 MolecularWeight: 469.48708

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NCC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(COC)NCC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O3.C2H2O4/c1-16(15-26-2)23-13-18-14-25(19-6-4-3-5-7-19)24-22(18)17-8-9-20-21(12-17)28-11-10-27-20;3-1(4)2(5)6/h3-9,12,14,16,23H,10-11,13,15H2,1-2H3;(H,3,4)(H,5,6)