(3-methoxy-4-prop-2-enoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-methoxy-4-prop-2-enoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (4-allyloxy-3-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-methoxy-4-prop-2-enoxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-methoxy-4-prop-2-enoxyphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (4-allyloxy-3-methoxy-phenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C22H22F3N3O5 MolecularWeight: 465.42239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OCC=C

InChI

InChI=1S/C22H22F3N3O5/c1-3-12-33-19-7-4-15(13-20(19)32-2)21(29)27-10-8-26(9-11-27)17-6-5-16(22(23,24)25)14-18(17)28(30)31/h3-7,13-14H,1,8-12H2,2H3