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

Systemtic Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3/c1-15(2)14-25-17(4)20(16(3)22-25)13-21(27)24-11-9-23(10-12-24)18-5-7-19(8-6-18)26(28)29/h5-8,15H,9-14H2,1-4H3