(2E)-2-[[4-(4-diphenylphosphorylpiperazin-1-yl)pyridin-3-yl]methylidene]hexanamide

Systemtic Name: (2E)-2-[[4-(4-diphenylphosphorylpiperazin-1-yl)pyridin-3-yl]methylidene]hexanamide Openeye Name: (2E)-2-[[4-(4-diphenylphosphorylpiperazin-1-yl)-3-pyridyl]methylene]hexanamide CAS Name: (2E)-2-[[4-(4-diphenylphosphoryl-1-piperazinyl)-3-pyridinyl]methylidene]hexanamide IUPAC Name: (2E)-2-[[4-(4-diphenylphosphorylpiperazin-1-yl)pyridin-3-yl]methylidene]hexanamide Traditional Name: (E)-2-butyl-3-[4-(4-diphenylphosphorylpiperazino)-3-pyridyl]acrylamide Formula: C28H33N4O2P MolecularWeight: 488.560981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1=C(C=CN=C1)N2CCN(CC2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCC/C(=C\C1=C(C=CN=C1)N2CCN(CC2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)N

InChI

InChI=1S/C28H33N4O2P/c1-2-3-10-23(28(29)33)21-24-22-30-16-15-27(24)31-17-19-32(20-18-31)35(34,25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-16,21-22H,2-3,10,17-20H2,1H3,(H2,29,33)/b23-21+