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

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(2-chloro-4-fluorophenyl)-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C23H17ClFN3O2 MolecularWeight: 421.851383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C23H17ClFN3O2/c1-30-21-9-5-4-8-20(21)27-22-16-7-3-2-6-15(16)17(13-26-22)23(29)28-19-11-10-14(25)12-18(19)24/h2-13H,1H3,(H,26,27)(H,28,29)