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

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-N-(2-morpholin-4-ylethyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-N-(2-morpholinoethyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(2,4-difluorophenyl)-N-[2-(4-morpholinyl)ethyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-1-keto-N-(2-morpholinoethyl)isoquinoline-4-carboxamide Formula: C22H21F2N3O3 MolecularWeight: 413.417246

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1COCCN1CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H21F2N3O3/c23-15-5-6-20(19(24)13-15)27-14-18(16-3-1-2-4-17(16)22(27)29)21(28)25-7-8-26-9-11-30-12-10-26/h1-6,13-14H,7-12H2,(H,25,28)