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

Systemtic Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(1-ethyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(1-ethyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]-(1-ethyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-(1-ethyl-4-nitropyrazol-3-yl)methanone Traditional Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]-(1-ethyl-4-nitro-pyrazol-3-yl)methanone Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N2CCN(CC2)CC3=C(N(N=C3C)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N2CCN(CC2)CC3=C(N(N=C3C)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N7O3/c1-4-27-15-20(29(31)32)21(24-27)22(30)26-12-10-25(11-13-26)14-19-16(2)23-28(17(19)3)18-8-6-5-7-9-18/h5-9,15H,4,10-14H2,1-3H3