(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: (2R)-2-(4-nitropyrazol-1-yl)-1-(4-piperonylpiperazino)propan-1-one Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5/c1-13(22-11-15(9-19-22)23(25)26)18(24)21-6-4-20(5-7-21)10-14-2-3-16-17(8-14)28-12-27-16/h2-3,8-9,11,13H,4-7,10,12H2,1H3/t13-/m1/s1