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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

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