3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]propanamide

Systemtic Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]propanamide Openeye Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]propanamide CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]propanamide IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]propanamide Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-[(6-pyrrolidino-3-pyridyl)methyl]propionamide Formula: C20H22F3N5O3 MolecularWeight: 437.41559

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22F3N5O3/c21-20(22,23)15-4-5-16(17(11-15)28(30)31)24-8-7-19(29)26-13-14-3-6-18(25-12-14)27-9-1-2-10-27/h3-6,11-12,24H,1-2,7-10,13H2,(H,26,29)