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

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-2-one Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-2-one CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-2-piperazinone IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-2-one Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-2-one Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c26-20-13-24(9-8-22-20)11-16-12-25(17-4-2-1-3-5-17)23-21(16)15-6-7-18-19(10-15)28-14-27-18/h1-7,10,12H,8-9,11,13-14H2,(H,22,26)