N-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-(3-fluorophenyl)-8-isoquinolyl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(3-fluorophenyl)-8-isoquinolinyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(3-fluorophenyl)-8-isoquinolyl]methyl]adamantane-1-carboxamide Formula: C27H27FN2O MolecularWeight: 414.514483

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=C5C=NC=CC5=C(C=C4)C6=CC(=CC=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=C5C=NC=CC5=C(C=C4)C6=CC(=CC=C6)F

InChI

InChI=1S/C27H27FN2O/c28-22-3-1-2-20(11-22)23-5-4-21(25-16-29-7-6-24(23)25)15-30-26(31)27-12-17-8-18(13-27)10-19(9-17)14-27/h1-7,11,16-19H,8-10,12-15H2,(H,30,31)