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

Systemtic Name: N-(butylcarbamoyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: N-(butylcarbamoyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-(butylcarbamoyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: N-(butylcarbamoyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C19H26F3N5O4 MolecularWeight: 445.43605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H26F3N5O4/c1-3-4-7-23-18(29)24-17(28)13(2)25-8-10-26(11-9-25)15-6-5-14(19(20,21)22)12-16(15)27(30)31/h5-6,12-13H,3-4,7-11H2,1-2H3,(H2,23,24,28,29)