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

Systemtic Name: N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopentene-1-carboxamide Openeye Name: N-[bis(1-piperidyl)phosphoryl]-2-morpholino-3-[(4-nitrophenyl)methylene]cyclopentene-1-carboxamide CAS Name: N-[bis(1-piperidinyl)phosphoryl]-2-(4-morpholinyl)-3-[(4-nitrophenyl)methylidene]-1-cyclopentenecarboxamide IUPAC Name: N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopentene-1-carboxamide Traditional Name: N-dipiperidinophosphoryl-2-morpholino-3-(4-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=C(C=C3)[N+](=O)[O-])CC2)N4CCOCC4)N5CCCCC5

Isomeric SMILES

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

InChI

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