4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(4-methyl-2-phenyl-1-piperazinyl)ethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-methyl-2-phenyl-piperazino)ethyl]benzamide Formula: C26H32N6O3 MolecularWeight: 476.57068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCN3CCN(CC3C4=CC=CC=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCN3CCN(CC3C4=CC=CC=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H32N6O3/c1-19-25(32(34)35)20(2)31(28-19)17-21-9-11-23(12-10-21)26(33)27-13-14-30-16-15-29(3)18-24(30)22-7-5-4-6-8-22/h4-12,24H,13-18H2,1-3H3,(H,27,33)