1-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperazino]-2-methyl-propan-1-one Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4/c1-14(2)20(27)23-9-11-24(12-10-23)21(28)18-7-5-17(6-8-18)13-25-16(4)19(26(29)30)15(3)22-25/h5-8,14H,9-13H2,1-4H3