6-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]sesamol Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1O)OCO2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC2=C(C=C1O)OCO2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3/c1-27(14-19-12-23-24(13-22(19)29)31-17-30-23)15-20-16-28(21-10-6-3-7-11-21)26-25(20)18-8-4-2-5-9-18/h2-13,16,29H,14-15,17H2,1H3