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

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide CAS Name: N-(2-chloro-4-fluorophenyl)-1-(3-chloro-4-methylanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide Formula: C23H16Cl2FN3O MolecularWeight: 440.297043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)F)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)F)Cl)Cl

InChI

InChI=1S/C23H16Cl2FN3O/c1-13-6-8-15(11-19(13)24)28-22-17-5-3-2-4-16(17)18(12-27-22)23(30)29-21-9-7-14(26)10-20(21)25/h2-12H,1H3,(H,27,28)(H,29,30)