1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperazine Traditional Name: 1-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]-4-piperonyl-piperazine Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C26H26N4O2S/c1-2-5-22(6-3-1)30-18-21(26(27-30)25-7-4-14-33-25)17-29-12-10-28(11-13-29)16-20-8-9-23-24(15-20)32-19-31-23/h1-9,14-15,18H,10-13,16-17,19H2