N-[3-azanyl-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-7-yl]hexanamide

Systemtic Name: N-[3-azanyl-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-7-yl]hexanamide Openeye Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolyl]hexanamide CAS Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolinyl]hexanamide IUPAC Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]hexanamide Traditional Name: N-[3-amino-4-(2-fluorophenyl)-1-keto-2-(2-methoxyethyl)-7-isoquinolyl]hexanamide Formula: C24H28FN3O3 MolecularWeight: 425.495823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CCOC)N)C3=CC=CC=C3F

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CCOC)N)C3=CC=CC=C3F

InChI

InChI=1S/C24H28FN3O3/c1-3-4-5-10-21(29)27-16-11-12-17-19(15-16)24(30)28(13-14-31-2)23(26)22(17)18-8-6-7-9-20(18)25/h6-9,11-12,15H,3-5,10,13-14,26H2,1-2H3,(H,27,29)