N-(2-chloranyl-4-fluoranyl-phenyl)-1-morpholin-4-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-1-morpholin-4-yl-isoquinoline-4-carboxamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-1-morpholino-isoquinoline-4-carboxamide CAS Name: N-(2-chloro-4-fluorophenyl)-1-(4-morpholinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-1-morpholino-isoquinoline-4-carboxamide Formula: C20H17ClFN3O2 MolecularWeight: 385.819283

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1COCCN1C2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C20H17ClFN3O2/c21-17-11-13(22)5-6-18(17)24-20(26)16-12-23-19(25-7-9-27-10-8-25)15-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2,(H,24,26)