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

Systemtic Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-3-(3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazino]-3-(3-nitropyrazol-1-yl)propan-1-one Formula: C16H23N7O3 MolecularWeight: 361.39892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O3/c1-13-14(11-19(2)17-13)12-20-7-9-21(10-8-20)16(24)4-6-22-5-3-15(18-22)23(25)26/h3,5,11H,4,6-10,12H2,1-2H3