(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (1-tert-butyl-3,5-dimethyl-4-pyrazolyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (1-tert-butyl-3,5-dimethylpyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)(C)C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)(C)C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/c1-14-18(15(2)24(21-14)20(3,4)5)19(26)23-12-10-22(11-13-23)16-6-8-17(9-7-16)25(27)28/h6-9H,10-13H2,1-5H3