N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C20H20F4N4O3 MolecularWeight: 440.391413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])F

InChI

InChI=1S/C20H20F4N4O3/c1-13-2-3-14(10-16(13)21)12-25-19(29)27-8-6-26(7-9-27)17-5-4-15(20(22,23)24)11-18(17)28(30)31/h2-5,10-11H,6-9,12H2,1H3,(H,25,29)