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

Systemtic Name: 2-chloranyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-(2-methylpropyl)-4-nitro-benzamide Openeye Name: 2-chloro-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-isobutyl-4-nitro-benzamide CAS Name: 2-chloro-N-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-N-(2-methylpropyl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)-4-nitrobenzamide Traditional Name: 2-chloro-N-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-N-isobutyl-4-nitro-benzamide Formula: C28H35ClN6O3 MolecularWeight: 539.0689

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H35ClN6O3/c1-5-31-13-15-32(16-14-31)27-25(21(4)30-34(27)22-9-7-6-8-10-22)19-33(18-20(2)3)28(36)24-12-11-23(35(37)38)17-26(24)29/h6-12,17,20H,5,13-16,18-19H2,1-4H3