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

Systemtic Name: N-[[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine Openeye Name: N-[(1-tert-butyl-5-isobutyl-pyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine CAS Name: N-[[1-tert-butyl-5-(2-methylpropyl)-3-pyrazolyl]methyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]ethanamine IUPAC Name: N-[[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine Traditional Name: (1-tert-butyl-5-isobutyl-pyrazol-3-yl)methyl-[2-[4-(4-nitrophenyl)piperazino]ethyl]amine Formula: C24H38N6O2 MolecularWeight: 442.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NN1C(C)(C)C)CNCCN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC(=NN1C(C)(C)C)CNCCN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H38N6O2/c1-19(2)16-23-17-20(26-29(23)24(3,4)5)18-25-10-11-27-12-14-28(15-13-27)21-6-8-22(9-7-21)30(31)32/h6-9,17,19,25H,10-16,18H2,1-5H3