3-(furan-2-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(furan-2-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(2-furyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one CAS Name: 3-(2-furanyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(furan-2-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(2-furyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propan-1-one Formula: C18H18F3N3O4 MolecularWeight: 397.34843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCC3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCC3=CC=CO3

InChI

InChI=1S/C18H18F3N3O4/c19-18(20,21)13-3-5-15(16(12-13)24(26)27)22-7-9-23(10-8-22)17(25)6-4-14-2-1-11-28-14/h1-3,5,11-12H,4,6-10H2