N-(5-chloranylpyridin-2-yl)-6-(3-diethoxyphosphorylpropoxy)-3-isocyano-7-methoxy-quinolin-4-amine

Systemtic Name: N-(5-chloranylpyridin-2-yl)-6-(3-diethoxyphosphorylpropoxy)-3-isocyano-7-methoxy-quinolin-4-amine Openeye Name: N-(5-chloro-2-pyridyl)-6-(3-diethoxyphosphorylpropoxy)-3-isocyano-7-methoxy-quinolin-4-amine CAS Name: N-(5-chloro-2-pyridinyl)-6-(3-diethoxyphosphorylpropoxy)-3-isocyano-7-methoxy-4-quinolinamine IUPAC Name: N-(5-chloropyridin-2-yl)-6-(3-diethoxyphosphorylpropoxy)-3-isocyano-7-methoxyquinolin-4-amine Traditional Name: (5-chloro-2-pyridyl)-[6-(3-diethoxyphosphorylpropoxy)-3-isocyano-7-methoxy-4-quinolyl]amine Formula: C23H26ClN4O5P MolecularWeight: 504.903101

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCOC1=C(C=C2C(=C1)C(=C(C=N2)[N+]#[C-])NC3=NC=C(C=C3)Cl)OC)OCC

Isomeric SMILES

CCOP(=O)(CCCOC1=C(C=C2C(=C1)C(=C(C=N2)[N+]#[C-])NC3=NC=C(C=C3)Cl)OC)OCC

InChI

InChI=1S/C23H26ClN4O5P/c1-5-32-34(29,33-6-2)11-7-10-31-21-12-17-18(13-20(21)30-4)26-15-19(25-3)23(17)28-22-9-8-16(24)14-27-22/h8-9,12-15H,5-7,10-11H2,1-2,4H3,(H,26,27,28)