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

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(4-propoxyphenyl)methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-(4-propoxyphenyl)methanone Formula: C21H22F3N3O4 MolecularWeight: 437.41229

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N3O4/c1-2-13-31-17-6-3-15(4-7-17)20(28)26-11-9-25(10-12-26)18-8-5-16(21(22,23)24)14-19(18)27(29)30/h3-8,14H,2,9-13H2,1H3