2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenylpiperazino)ethanone Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c1-13-17(22(24)25)14(2)21(18-13)12-16(23)20-10-8-19(9-11-20)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3