2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-ethyl-N-(4-fluorobenzyl)-1-keto-6,7-dimethoxy-isoquinoline-4-carboxamide Formula: C21H21FN2O4 MolecularWeight: 384.400843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O4/c1-4-24-12-17(20(25)23-11-13-5-7-14(22)8-6-13)15-9-18(27-2)19(28-3)10-16(15)21(24)26/h5-10,12H,4,11H2,1-3H3,(H,23,25)