[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: (4-piperonylpiperazino)-(4-pyrazol-1-ylphenyl)methanone Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

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