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

Systemtic Name: (3E)-N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopentene-1-carboxamide Openeye Name: (3E)-N-[bis(1-piperidyl)phosphoryl]-2-morpholino-3-[(3-nitrophenyl)methylene]cyclopentene-1-carboxamide CAS Name: (3E)-N-[bis(1-piperidinyl)phosphoryl]-2-(4-morpholinyl)-3-[(3-nitrophenyl)methylidene]-1-cyclopentenecarboxamide IUPAC Name: (3E)-N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopentene-1-carboxamide Traditional Name: (3E)-N-dipiperidinophosphoryl-2-morpholino-3-(3-nitrobenzylidene)cyclopentene-1-carboxamide Formula: C27H38N5O5P MolecularWeight: 543.594881

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)P(=O)(NC(=O)C2=C(C(=CC3=CC(=CC=C3)[N+](=O)[O-])CC2)N4CCOCC4)N5CCCCC5

Isomeric SMILES

C1CCN(CC1)P(=O)(NC(=O)C2=C(/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/CC2)N4CCOCC4)N5CCCCC5

InChI

InChI=1S/C27H38N5O5P/c33-27(28-38(36,30-12-3-1-4-13-30)31-14-5-2-6-15-31)25-11-10-23(26(25)29-16-18-37-19-17-29)20-22-8-7-9-24(21-22)32(34)35/h7-9,20-21H,1-6,10-19H2,(H,28,33,36)/b23-20+