ethane; 2-(3-fluorophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione

Systemtic Name: ethane; 2-(3-fluorophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione Openeye Name: ethane; 2-(3-fluorophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione CAS Name: ethane; 2-(3-fluorophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione IUPAC Name: ethane; 2-(3-fluorophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione Traditional Name: ethane; 2-(3-fluorophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-quinone Formula: C22H21FN2O3 MolecularWeight: 380.412143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC.C1=CC(=CC(=C1)F)N2C(=O)C3=C4C(=C(C=C3)NCCO)C=CC=C4C2=O

Isomeric SMILES

CC.C1=CC(=CC(=C1)F)N2C(=O)C3=C4C(=C(C=C3)NCCO)C=CC=C4C2=O

InChI

InChI=1S/C20H15FN2O3.C2H6/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26;1-2/h1-8,11,22,24H,9-10H2;1-2H3