2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(8-quinolylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(8-quinolinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(8-quinolylmethyl)piperazino]ethanone Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c1-15-21(27(29)30)16(2)26(23-15)14-19(28)25-11-9-24(10-12-25)13-18-6-3-5-17-7-4-8-22-20(17)18/h3-8H,9-14H2,1-2H3