N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-chlorophenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-chlorophenyl)-1-keto-isoquinoline-4-carboxamide Formula: C22H13Cl2FN2O2 MolecularWeight: 427.255223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H13Cl2FN2O2/c23-13-5-8-15(9-6-13)27-12-18(16-3-1-2-4-17(16)22(27)29)21(28)26-14-7-10-20(25)19(24)11-14/h1-12H,(H,26,28)