7-(2-diethoxyphosphorylethyl)isoquinoline-1-carboxamide

Systemtic Name: 7-(2-diethoxyphosphorylethyl)isoquinoline-1-carboxamide Openeye Name: 7-(2-diethoxyphosphorylethyl)isoquinoline-1-carboxamide CAS Name: 7-(2-diethoxyphosphorylethyl)-1-isoquinolinecarboxamide IUPAC Name: 7-(2-diethoxyphosphorylethyl)isoquinoline-1-carboxamide Traditional Name: 7-(2-diethoxyphosphorylethyl)isoquinoline-1-carboxamide Formula: C16H21N2O4P MolecularWeight: 336.322701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC1=CC2=C(C=C1)C=CN=C2C(=O)N)OCC

Isomeric SMILES

CCOP(=O)(CCC1=CC2=C(C=C1)C=CN=C2C(=O)N)OCC

InChI

InChI=1S/C16H21N2O4P/c1-3-21-23(20,22-4-2)10-8-12-5-6-13-7-9-18-15(16(17)19)14(13)11-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,17,19)