N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C20H18F6N4O3 MolecularWeight: 476.372339

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F6N4O3/c1-28-4-6-29(7-5-28)16-3-2-12(8-17(16)30(32)33)18(31)27-15-10-13(19(21,22)23)9-14(11-15)20(24,25)26/h2-3,8-11H,4-7H2,1H3,(H,27,31)