[1-[(7-chloranylquinolin-4-yl)amino]-3-(diethylamino)propan-2-yl] phosphono hydrogen phosphate

Systemtic Name: [1-[(7-chloranylquinolin-4-yl)amino]-3-(diethylamino)propan-2-yl] phosphono hydrogen phosphate Openeye Name: [1-[[(7-chloro-4-quinolyl)amino]methyl]-2-(diethylamino)ethyl] phosphono hydrogen phosphate CAS Name: [1-[(7-chloro-4-quinolinyl)amino]-3-(diethylamino)propan-2-yl] phosphono hydrogen phosphate IUPAC Name: [1-[(7-chloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-yl] phosphono hydrogen phosphate Traditional Name: [1-[[(7-chloro-4-quinolyl)amino]methyl]-2-(diethylamino)ethyl] phosphono hydrogen phosphate Formula: C16H24ClN3O7P2 MolecularWeight: 467.778182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CNC1=C2C=CC(=CC2=NC=C1)Cl)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CCN(CC)CC(CNC1=C2C=CC(=CC2=NC=C1)Cl)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C16H24ClN3O7P2/c1-3-20(4-2)11-13(26-29(24,25)27-28(21,22)23)10-19-15-7-8-18-16-9-12(17)5-6-14(15)16/h5-9,13H,3-4,10-11H2,1-2H3,(H,18,19)(H,24,25)(H2,21,22,23)