N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-nitro-benzamide

Systemtic Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-nitro-benzamide Openeye Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-isobutyl-3-nitro-benzamide CAS Name: N-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-N-(2-methylpropyl)-3-nitrobenzamide IUPAC Name: N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: N-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-isobutyl-3-nitro-benzamide Formula: C28H36N6O3 MolecularWeight: 504.62384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H36N6O3/c1-5-30-14-16-31(17-15-30)27-26(22(4)29-33(27)24-11-7-6-8-12-24)20-32(19-21(2)3)28(35)23-10-9-13-25(18-23)34(36)37/h6-13,18,21H,5,14-17,19-20H2,1-4H3