[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(3-pyridyl)isoxazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[5-(3-pyridinyl)-3-isoxazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone Traditional Name: (4-piperonylpiperazino)-[5-(3-pyridyl)isoxazol-3-yl]methanone Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c26-21(17-11-19(29-23-17)16-2-1-5-22-12-16)25-8-6-24(7-9-25)13-15-3-4-18-20(10-15)28-14-27-18/h1-5,10-12H,6-9,13-14H2