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

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperazine-1-carbaldehyde Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carbaldehyde Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperazine-1-carbaldehyde Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C=O

Isomeric SMILES

C1CN(CCN1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C=O

InChI

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