2-diethylaminoethyl 1-(2-chloranyl-6-fluoranyl-phenyl)isoquinoline-4-carboxylate

Systemtic Name: 2-diethylaminoethyl 1-(2-chloranyl-6-fluoranyl-phenyl)isoquinoline-4-carboxylate Openeye Name: 2-diethylaminoethyl 1-(2-chloro-6-fluoro-phenyl)isoquinoline-4-carboxylate CAS Name: 1-(2-chloro-6-fluorophenyl)-4-isoquinolinecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 1-(2-chloro-6-fluorophenyl)isoquinoline-4-carboxylate Traditional Name: 1-(2-chloro-6-fluoro-phenyl)isoquinoline-4-carboxylic acid 2-diethylaminoethyl ester Formula: C22H22ClFN2O2 MolecularWeight: 400.873683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CN=C(C2=CC=CC=C21)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CN=C(C2=CC=CC=C21)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H22ClFN2O2/c1-3-26(4-2)12-13-28-22(27)17-14-25-21(16-9-6-5-8-15(16)17)20-18(23)10-7-11-19(20)24/h5-11,14H,3-4,12-13H2,1-2H3