(5-bromanyl-2-methoxy-3-methyl-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-methoxy-3-methyl-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (5-bromo-2-methoxy-3-methyl-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (5-bromo-2-methoxy-3-methylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-methoxy-3-methylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (5-bromo-2-methoxy-3-methyl-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H19BrF3N3O4 MolecularWeight: 502.28177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrF3N3O4/c1-12-9-14(21)11-15(18(12)31-2)19(28)26-7-5-25(6-8-26)16-4-3-13(20(22,23)24)10-17(16)27(29)30/h3-4,9-11H,5-8H2,1-2H3