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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-benzylpyrazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-benzylpyrazol-4-yl)methanone Traditional Name: (1-benzylpyrazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N4O3/c28-23(20-13-24-27(16-20)15-18-4-2-1-3-5-18)26-10-8-25(9-11-26)14-19-6-7-21-22(12-19)30-17-29-21/h1-7,12-13,16H,8-11,14-15,17H2