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

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxamide Formula: C23H16ClFN2O3 MolecularWeight: 422.836143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C23H16ClFN2O3/c1-30-16-9-7-15(8-10-16)27-13-19(17-4-2-3-5-18(17)23(27)29)22(28)26-21-11-6-14(25)12-20(21)24/h2-13H,1H3,(H,26,28)