1-[2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-(2,4-difluorophenyl)-1-oxo-isoquinoline-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-(2,4-difluorophenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-(2,4-difluorophenyl)-1-keto-isoquinoline-4-carbonyl]isonipecotamide Formula: C22H19F2N3O3 MolecularWeight: 411.401366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H19F2N3O3/c23-14-5-6-19(18(24)11-14)27-12-17(15-3-1-2-4-16(15)22(27)30)21(29)26-9-7-13(8-10-26)20(25)28/h1-6,11-13H,7-10H2,(H2,25,28)