1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-fluoranyl-indole-2,3-dione

Systemtic Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-fluoranyl-indole-2,3-dione Openeye Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-fluoro-indoline-2,3-dione CAS Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-fluoroindole-2,3-dione IUPAC Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-fluoroindole-2,3-dione Traditional Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-fluoro-isatin Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C4=C(C=CC(=C4)F)C(=O)C3=O)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C4=C(C=CC(=C4)F)C(=O)C3=O)OCC

InChI

InChI=1S/C22H23FN2O4/c1-3-28-19-9-14-7-8-24(12-15(14)10-20(19)29-4-2)13-25-18-11-16(23)5-6-17(18)21(26)22(25)27/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3