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

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(3-propoxyphenyl)methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(3-propoxyphenyl)methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(3-propoxyphenyl)methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(3-propoxyphenyl)methanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-(3-propoxyphenyl)methanone Formula: C21H22F3N3O4 MolecularWeight: 437.41229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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