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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[4-(3-oxo-1-piperazinyl)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(3-ketopiperazino)phenyl]benzamide Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O4/c1-15-22(29(32)33)16(2)28(26-15)13-17-3-5-18(6-4-17)23(31)25-19-7-9-20(10-8-19)27-12-11-24-21(30)14-27/h3-10H,11-14H2,1-2H3,(H,24,30)(H,25,31)