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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(3-pyridyl)-1H-pyrazol-5-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-(3-pyridinyl)-1H-pyrazol-5-yl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone Traditional Name: (4-piperonylpiperazino)-[3-(3-pyridyl)-1H-pyrazol-5-yl]methanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4)C5=CN=CC=C5

InChI

InChI=1S/C21H21N5O3/c27-21(18-11-17(23-24-18)16-2-1-5-22-12-16)26-8-6-25(7-9-26)13-15-3-4-19-20(10-15)29-14-28-19/h1-5,10-12H,6-9,13-14H2,(H,23,24)