5-bromanyl-2-[[4-(diethoxyphosphorylmethyl)phenyl]carbonylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 5-bromanyl-2-[[4-(diethoxyphosphorylmethyl)phenyl]carbonylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-bromo-2-[[4-(diethoxyphosphorylmethyl)benzoyl]amino]-N-(3-pyridylmethyl)benzamide CAS Name: 5-bromo-2-[[[4-(diethoxyphosphorylmethyl)phenyl]-oxomethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-bromo-2-[[4-(diethoxyphosphorylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-bromo-2-[[4-(diethoxyphosphorylmethyl)benzoyl]amino]-N-(3-pyridylmethyl)benzamide Formula: C25H27BrN3O5P MolecularWeight: 560.376741

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NCC3=CN=CC=C3)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NCC3=CN=CC=C3)OCC

InChI

InChI=1S/C25H27BrN3O5P/c1-3-33-35(32,34-4-2)17-18-7-9-20(10-8-18)24(30)29-23-12-11-21(26)14-22(23)25(31)28-16-19-6-5-13-27-15-19/h5-15H,3-4,16-17H2,1-2H3,(H,28,31)(H,29,30)