N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-(2-pyrazinyl)-1-piperazinecarboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide Formula: C18H20F3N7O3 MolecularWeight: 439.39171

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20F3N7O3/c19-18(20,21)13-1-2-14(15(11-13)28(30)31)23-5-6-25-17(29)27-9-7-26(8-10-27)16-12-22-3-4-24-16/h1-4,11-12,23H,5-10H2,(H,25,29)