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

Systemtic Name: N-[[5-(2-methylpropyl)-1-phenyl-pyrazol-3-yl]methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine Openeye Name: N-[(5-isobutyl-1-phenyl-pyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine CAS Name: N-[[5-(2-methylpropyl)-1-phenyl-3-pyrazolyl]methyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]ethanamine IUPAC Name: N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine Traditional Name: (5-isobutyl-1-phenyl-pyrazol-3-yl)methyl-[2-[4-(4-nitrophenyl)piperazino]ethyl]amine Formula: C26H34N6O2 MolecularWeight: 462.58716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NN1C2=CC=CC=C2)CNCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC(=NN1C2=CC=CC=C2)CNCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H34N6O2/c1-21(2)18-26-19-22(28-31(26)24-6-4-3-5-7-24)20-27-12-13-29-14-16-30(17-15-29)23-8-10-25(11-9-23)32(33)34/h3-11,19,21,27H,12-18,20H2,1-2H3