N-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-chloranyl-2-methoxy-phenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-chloranyl-2-methoxy-phenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-chloro-2-methoxy-anilino)isoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-(4-chloro-2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-chloro-2-methoxy-anilino)isoquinoline-4-carboxamide Formula: C23H16Cl2FN3O2 MolecularWeight: 456.296443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H16Cl2FN3O2/c1-31-21-10-13(24)6-9-20(21)29-22-16-5-3-2-4-15(16)17(12-27-22)23(30)28-14-7-8-19(26)18(25)11-14/h2-12H,1H3,(H,27,29)(H,28,30)