1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-methyl-3-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazino]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one Formula: C17H25N7O3 MolecularWeight: 375.4255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=O)C(C)CN3C=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=O)C(C)CN3C=C(C=N3)[N+](=O)[O-])C

InChI

InChI=1S/C17H25N7O3/c1-13(9-23-12-16(8-18-23)24(26)27)17(25)22-6-4-21(5-7-22)11-15-10-20(3)19-14(15)2/h8,10,12-13H,4-7,9,11H2,1-3H3