N-(1-adamantyl)-4-[(E)-4-azanyl-2-fluoranyl-but-2-enoxy]benzamide

Systemtic Name: N-(1-adamantyl)-4-[(E)-4-azanyl-2-fluoranyl-but-2-enoxy]benzamide Openeye Name: N-(1-adamantyl)-4-[(E)-4-amino-2-fluoro-but-2-enoxy]benzamide CAS Name: N-(1-adamantyl)-4-[(E)-4-amino-2-fluorobut-2-enoxy]benzamide IUPAC Name: N-(1-adamantyl)-4-[(E)-4-amino-2-fluorobut-2-enoxy]benzamide Traditional Name: N-(1-adamantyl)-4-[(E)-4-amino-2-fluoro-but-2-enoxy]benzamide Formula: C21H27FN2O2 MolecularWeight: 358.449683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)OCC(=CCN)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)OC/C(=C\CN)/F

InChI

InChI=1S/C21H27FN2O2/c22-18(5-6-23)13-26-19-3-1-17(2-4-19)20(25)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-5,14-16H,6-13,23H2,(H,24,25)/b18-5+