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

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-1-oxo-N-(3-pyridylmethyl)isoquinoline-4-carboxamide CAS Name: 2-(2,4-difluorophenyl)-1-oxo-N-(3-pyridinylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-1-keto-N-(3-pyridylmethyl)isoquinoline-4-carboxamide Formula: C22H15F2N3O2 MolecularWeight: 391.370206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=C(C=C(C=C3)F)F)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=C(C=C(C=C3)F)F)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H15F2N3O2/c23-15-7-8-20(19(24)10-15)27-13-18(16-5-1-2-6-17(16)22(27)29)21(28)26-12-14-4-3-9-25-11-14/h1-11,13H,12H2,(H,26,28)