3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide

Systemtic Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide Openeye Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]propionamide Formula: C20H23F3N4O3S MolecularWeight: 456.48183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-5-6-15(16(12-14)27(29)30)24-8-7-19(28)25-13-17(18-4-3-11-31-18)26-9-1-2-10-26/h3-6,11-12,17,24H,1-2,7-10,13H2,(H,25,28)