2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)ethanone CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)ethanone Formula: C17H20BrN5O3 MolecularWeight: 422.2764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H20BrN5O3/c1-13-16(18)17(23(25)26)19-22(13)12-15(24)21-9-7-20(8-10-21)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3