N-[3-(3-methylphenoxy)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-[3-(3-methylphenoxy)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-[3-(3-methylphenoxy)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-[3-(3-methylphenoxy)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-[3-(3-methylphenoxy)propyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C22H25F3N4O4 MolecularWeight: 466.45351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H25F3N4O4/c1-16-4-2-5-18(14-16)33-13-3-8-26-21(30)28-11-9-27(10-12-28)19-7-6-17(22(23,24)25)15-20(19)29(31)32/h2,4-7,14-15H,3,8-13H2,1H3,(H,26,30)