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

Systemtic Name: N-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]-2-(2-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]-1-keto-2-(2-methoxyphenyl)isoquinoline-4-carboxamide Formula: C26H22FN3O4 MolecularWeight: 459.468983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4OC)F

InChI

InChI=1S/C26H22FN3O4/c1-16-11-12-17(13-21(16)27)29-24(31)14-28-25(32)20-15-30(22-9-5-6-10-23(22)34-2)26(33)19-8-4-3-7-18(19)20/h3-13,15H,14H2,1-2H3,(H,28,32)(H,29,31)