N-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl]-N-(3-fluorophenyl)adamantane-1-carboxamide

Systemtic Name: N-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl]-N-(3-fluorophenyl)adamantane-1-carboxamide Openeye Name: N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(3-fluorophenyl)adamantane-1-carboxamide CAS Name: N-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propyl]-N-(3-fluorophenyl)-1-adamantanecarboxamide IUPAC Name: N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(3-fluorophenyl)adamantane-1-carboxamide Traditional Name: N-[3-(1,3-diketobenzo[de]isoquinolin-2-yl)propyl]-N-(3-fluorophenyl)adamantane-1-carboxamide Formula: C32H31FN2O3 MolecularWeight: 510.598543

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N(CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)C7=CC(=CC=C7)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N(CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)C7=CC(=CC=C7)F

InChI

InChI=1S/C32H31FN2O3/c33-24-7-3-8-25(16-24)34(31(38)32-17-20-13-21(18-32)15-22(14-20)19-32)11-4-12-35-29(36)26-9-1-5-23-6-2-10-27(28(23)26)30(35)37/h1-3,5-10,16,20-22H,4,11-15,17-19H2