N-[5-[2-(1-adamantyl)ethanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[5-[2-(1-adamantyl)ethanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[5-[[2-(1-adamantyl)acetyl]amino]-2-methoxy-phenyl]-3-fluoro-benzamide CAS Name: N-[5-[[2-(1-adamantyl)-1-oxoethyl]amino]-2-methoxyphenyl]-3-fluorobenzamide IUPAC Name: N-[5-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-3-fluorobenzamide Traditional Name: N-[5-[[2-(1-adamantyl)acetyl]amino]-2-methoxy-phenyl]-3-fluoro-benzamide Formula: C26H29FN2O3 MolecularWeight: 436.518463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H29FN2O3/c1-32-23-6-5-21(11-22(23)29-25(31)19-3-2-4-20(27)10-19)28-24(30)15-26-12-16-7-17(13-26)9-18(8-16)14-26/h2-6,10-11,16-18H,7-9,12-15H2,1H3,(H,28,30)(H,29,31)