2-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[4-(2-morpholino-5-nitro-benzoyl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile CAS Name: 2-[4-[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[4-(2-morpholin-4-yl-5-nitrobenzoyl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[4-(2-morpholino-5-nitro-benzoyl)piperazino]-5-(trifluoromethyl)benzonitrile Formula: C23H22F3N5O4 MolecularWeight: 489.44709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3N5O4/c24-23(25,26)17-1-3-20(16(13-17)15-27)28-5-7-30(8-6-28)22(32)19-14-18(31(33)34)2-4-21(19)29-9-11-35-12-10-29/h1-4,13-14H,5-12H2