1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O3/c1-12-17(23(25)26)13(2)22(19-12)11-16(24)21-8-6-20(7-9-21)15-5-3-4-14(18)10-15/h3-5,10H,6-9,11H2,1-2H3