1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine Traditional Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-piperonyl-piperazine Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(NN=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(NN=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H23ClN4O2/c23-19-4-2-17(3-5-19)22-18(12-24-25-22)14-27-9-7-26(8-10-27)13-16-1-6-20-21(11-16)29-15-28-20/h1-6,11-12H,7-10,13-15H2,(H,24,25)