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1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone

1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone

Systemtic Name:1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
Openeye Name:1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
CAS Name:1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-2-(3-nitro-1-pyrazolyl)ethanone
IUPAC Name:1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
Traditional Name:1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-2-(3-nitropyrazol-1-yl)ethanone
Formula: C18H21N5O5
MolecularWeight: 387.38984
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CN4C=CC(=N4)[N+](=O)[O-]


Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CN4C=CC(=N4)[N+](=O)[O-]


InChI

InChI=1S/C18H21N5O5/c24-18(13-22-4-3-17(19-22)23(25)26)21-7-5-20(6-8-21)12-14-1-2-15-16(11-14)28-10-9-27-15/h1-4,11H,5-10,12-13H2


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