2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]acetamide Formula: C18H25F3N4O3 MolecularWeight: 402.41131

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H25F3N4O3/c1-3-14(4-2)22-17(26)12-23-7-9-24(10-8-23)15-6-5-13(18(19,20)21)11-16(15)25(27)28/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,22,26)