N-(2-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: N-(2-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: N-(2-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: N-(2-methoxyphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C21H23F3N4O4 MolecularWeight: 452.42693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1OC)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23F3N4O4/c1-14(20(29)25-16-5-3-4-6-19(16)32-2)26-9-11-27(12-10-26)17-8-7-15(21(22,23)24)13-18(17)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)