1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C17H20F3N5O2 MolecularWeight: 383.36821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20F3N5O2/c1-12-16(25(26)27)13(2)24(21-12)11-22-6-8-23(9-7-22)15-5-3-4-14(10-15)17(18,19)20/h3-5,10H,6-9,11H2,1-2H3