2-[2,4-bis(fluoranyl)phenyl]-N-(2,3-dimethylcyclohexyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-N-(2,3-dimethylcyclohexyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-N-(2,3-dimethylcyclohexyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(2,4-difluorophenyl)-N-(2,3-dimethylcyclohexyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)-N-(2,3-dimethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-N-(2,3-dimethylcyclohexyl)-1-keto-isoquinoline-4-carboxamide Formula: C24H24F2N2O2 MolecularWeight: 410.456366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H24F2N2O2/c1-14-6-5-9-21(15(14)2)27-23(29)19-13-28(22-11-10-16(25)12-20(22)26)24(30)18-8-4-3-7-17(18)19/h3-4,7-8,10-15,21H,5-6,9H2,1-2H3,(H,27,29)