N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O3/c1-16-22(17(2)28(25-16)19-7-5-4-6-8-19)24-23(30)18-9-10-20(21(15-18)29(31)32)27-13-11-26(3)12-14-27/h4-10,15H,11-14H2,1-3H3,(H,24,30)