(5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (5-tert-butyl-2-methylpyrazol-3-yl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(3-nitrobenzyl)piperazino]methanone Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H27N5O3/c1-20(2,3)18-13-17(22(4)21-18)19(26)24-10-8-23(9-11-24)14-15-6-5-7-16(12-15)25(27)28/h5-7,12-13H,8-11,14H2,1-4H3