N-(6-methylheptan-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-(6-methylheptan-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-(1,5-dimethylhexyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-(6-methylheptan-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(6-methylheptan-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(1,5-dimethylhexyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C20H29F3N4O3 MolecularWeight: 430.46447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29F3N4O3/c1-14(2)5-4-6-15(3)24-19(28)26-11-9-25(10-12-26)17-8-7-16(20(21,22)23)13-18(17)27(29)30/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,24,28)