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

Systemtic Name: N-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]-2-(2-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]-1-keto-2-(2-methoxyphenyl)isoquinoline-4-carboxamide Formula: C25H19ClFN3O4 MolecularWeight: 479.887463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H19ClFN3O4/c1-34-22-9-5-4-8-21(22)30-14-18(16-6-2-3-7-17(16)25(30)33)24(32)28-13-23(31)29-15-10-11-20(27)19(26)12-15/h2-12,14H,13H2,1H3,(H,28,32)(H,29,31)