N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-2-methyl-1-oxidanylidene-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-2-methyl-1-oxidanylidene-isoquinoline-3-carboxamide Openeye Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-1-oxo-isoquinoline-3-carboxamide CAS Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-1-oxo-3-isoquinolinecarboxamide IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide Traditional Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-keto-2-methyl-isoquinoline-3-carboxamide Formula: C21H18FN3O2 MolecularWeight: 363.384923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=CC=C2C1=O)C(=O)NCCC3=CNC4=C3C=C(C=C4)F

Isomeric SMILES

CN1C(=CC2=CC=CC=C2C1=O)C(=O)NCCC3=CNC4=C3C=C(C=C4)F

InChI

InChI=1S/C21H18FN3O2/c1-25-19(10-13-4-2-3-5-16(13)21(25)27)20(26)23-9-8-14-12-24-18-7-6-15(22)11-17(14)18/h2-7,10-12,24H,8-9H2,1H3,(H,23,26)