3-chloranyl-N-[(1-chloranyl-8-fluoranyl-isoquinolin-4-yl)methyl]aniline

Systemtic Name: 3-chloranyl-N-[(1-chloranyl-8-fluoranyl-isoquinolin-4-yl)methyl]aniline Openeye Name: 3-chloro-N-[(1-chloro-8-fluoro-4-isoquinolyl)methyl]aniline CAS Name: 3-chloro-N-[(1-chloro-8-fluoro-4-isoquinolinyl)methyl]aniline IUPAC Name: 3-chloro-N-[(1-chloro-8-fluoroisoquinolin-4-yl)methyl]aniline Traditional Name: (1-chloro-8-fluoro-4-isoquinolyl)methyl-(3-chlorophenyl)amine Formula: C16H11Cl2FN2 MolecularWeight: 321.176343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NCC2=CN=C(C3=C2C=CC=C3F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NCC2=CN=C(C3=C2C=CC=C3F)Cl

InChI

InChI=1S/C16H11Cl2FN2/c17-11-3-1-4-12(7-11)20-8-10-9-21-16(18)15-13(10)5-2-6-14(15)19/h1-7,9,20H,8H2