1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazino]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Formula: C17H25N7O4 MolecularWeight: 391.4249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H25N7O4/c1-13-14(10-20(2)18-13)11-21-6-8-22(9-7-21)16(25)4-5-23-12-15(24(26)27)17(19-23)28-3/h10,12H,4-9,11H2,1-3H3