(1-methylpyrazol-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (1-methylpyrazol-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (1-methylpyrazol-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (1-methyl-3-pyrazolyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (1-methylpyrazol-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (1-methylpyrazol-3-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C16H16F3N5O3 MolecularWeight: 383.32515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N5O3/c1-21-5-4-12(20-21)15(25)23-8-6-22(7-9-23)13-3-2-11(16(17,18)19)10-14(13)24(26)27/h2-5,10H,6-9H2,1H3