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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-(4-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-(p-anisidino)isoquinoline-4-carboxamide Formula: C23H17ClFN3O2 MolecularWeight: 421.851383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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