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

Systemtic Name: 2-methyl-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: 2-methyl-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 2-methyl-1-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-3-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 2-methyl-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 2-methyl-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]-3-(4-nitropyrazol-1-yl)propan-1-one Formula: C16H23N7O3 MolecularWeight: 361.39892

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CN(N=C3)C

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CN(N=C3)C

InChI

InChI=1S/C16H23N7O3/c1-13(9-22-12-15(8-18-22)23(25)26)16(24)21-5-3-20(4-6-21)11-14-7-17-19(2)10-14/h7-8,10,12-13H,3-6,9,11H2,1-2H3