[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(3,5-dinitrophenyl)methanone

Systemtic Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]-(3,5-dinitrophenyl)methanone Formula: C23H24N6O5 MolecularWeight: 464.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O5/c1-16-22(17(2)27(24-16)19-6-4-3-5-7-19)15-25-8-10-26(11-9-25)23(30)18-12-20(28(31)32)14-21(13-18)29(33)34/h3-7,12-14H,8-11,15H2,1-2H3