N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-[(2-morpholino-3-pyridyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-[(2-morpholino-3-pyridyl)methyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C22H25F3N6O4 MolecularWeight: 494.46691

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NCC3=C(N=CC=C3)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NCC3=C(N=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H25F3N6O4/c23-22(24,25)17-3-4-18(19(14-17)31(33)34)28-6-8-30(9-7-28)21(32)27-15-16-2-1-5-26-20(16)29-10-12-35-13-11-29/h1-5,14H,6-13,15H2,(H,27,32)