4-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperazin-2-one

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperazin-2-one Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]piperazin-2-one CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-piperazinone IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]piperazin-2-one Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]piperazin-2-one Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3/c27-21-14-25(9-8-23-21)12-18-13-26(11-16-4-2-1-3-5-16)24-22(18)17-6-7-19-20(10-17)29-15-28-19/h1-7,10,13H,8-9,11-12,14-15H2,(H,23,27)