N-(3-chloranyl-4-fluoranyl-phenyl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6,7-diethoxy-2-isobutyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-6,7-diethoxy-2-isobutyl-1-keto-isoquinoline-4-carboxamide Formula: C24H26ClFN2O4 MolecularWeight: 460.925643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl)OCC

InChI

InChI=1S/C24H26ClFN2O4/c1-5-31-21-10-16-17(11-22(21)32-6-2)24(30)28(12-14(3)4)13-18(16)23(29)27-15-7-8-20(26)19(25)9-15/h7-11,13-14H,5-6,12H2,1-4H3,(H,27,29)