N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclohexene-1-carboxamide

Systemtic Name: N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclohexene-1-carboxamide Openeye Name: N-[bis(1-piperidyl)phosphoryl]-2-morpholino-3-[(4-nitrophenyl)methylene]cyclohexene-1-carboxamide CAS Name: N-[bis(1-piperidinyl)phosphoryl]-2-(4-morpholinyl)-3-[(4-nitrophenyl)methylidene]-1-cyclohexenecarboxamide IUPAC Name: N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclohexene-1-carboxamide Traditional Name: N-dipiperidinophosphoryl-2-morpholino-3-(4-nitrobenzylidene)cyclohexene-1-carboxamide Formula: C28H40N5O5P MolecularWeight: 557.621461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)P(=O)(NC(=O)C2=C(C(=CC3=CC=C(C=C3)[N+](=O)[O-])CCC2)N4CCOCC4)N5CCCCC5

Isomeric SMILES

C1CCN(CC1)P(=O)(NC(=O)C2=C(C(=CC3=CC=C(C=C3)[N+](=O)[O-])CCC2)N4CCOCC4)N5CCCCC5

InChI

InChI=1S/C28H40N5O5P/c34-28(29-39(37,31-14-3-1-4-15-31)32-16-5-2-6-17-32)26-9-7-8-24(27(26)30-18-20-38-21-19-30)22-23-10-12-25(13-11-23)33(35)36/h10-13,22H,1-9,14-21H2,(H,29,34,37)