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

Systemtic Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]-(2-methyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-(2-methyl-4-nitropyrazol-3-yl)methanone Traditional Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]-(2-methyl-4-nitro-pyrazol-3-yl)methanone Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=C(C=NN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=C(C=NN4C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O3/c1-15-18(16(2)27(23-15)17-7-5-4-6-8-17)14-25-9-11-26(12-10-25)21(29)20-19(28(30)31)13-22-24(20)3/h4-8,13H,9-12,14H2,1-3H3