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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CN(N=C2)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CN(N=C2)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N7O3/c1-3-15(22-12-14(9-18-22)23(25)26)16(24)21-6-4-20(5-7-21)11-13-8-17-19(2)10-13/h8-10,12,15H,3-7,11H2,1-2H3