N-[(2-chloranyl-7-methoxy-quinolin-3-yl)-diethoxyphosphoryl-methyl]-3-fluoranyl-aniline

Systemtic Name: N-[(2-chloranyl-7-methoxy-quinolin-3-yl)-diethoxyphosphoryl-methyl]-3-fluoranyl-aniline Openeye Name: N-[(2-chloro-7-methoxy-3-quinolyl)-diethoxyphosphoryl-methyl]-3-fluoro-aniline CAS Name: N-[(2-chloro-7-methoxy-3-quinolinyl)-diethoxyphosphorylmethyl]-3-fluoroaniline IUPAC Name: N-[(2-chloro-7-methoxyquinolin-3-yl)-diethoxyphosphorylmethyl]-3-fluoroaniline Traditional Name: [(2-chloro-7-methoxy-3-quinolyl)-diethoxyphosphoryl-methyl]-(3-fluorophenyl)amine Formula: C21H23ClFN2O4P MolecularWeight: 452.843484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=C(N=C2C=C(C=CC2=C1)OC)Cl)NC3=CC(=CC=C3)F)OCC

Isomeric SMILES

CCOP(=O)(C(C1=C(N=C2C=C(C=CC2=C1)OC)Cl)NC3=CC(=CC=C3)F)OCC

InChI

InChI=1S/C21H23ClFN2O4P/c1-4-28-30(26,29-5-2)21(24-16-8-6-7-15(23)12-16)18-11-14-9-10-17(27-3)13-19(14)25-20(18)22/h6-13,21,24H,4-5H2,1-3H3