N-[2-(1-adamantylcarbamoylamino)-5-fluoranyl-phenyl]-3,5-ditert-butyl-4-oxidanyl-benzamide

Systemtic Name: N-[2-(1-adamantylcarbamoylamino)-5-fluoranyl-phenyl]-3,5-ditert-butyl-4-oxidanyl-benzamide Openeye Name: N-[2-(1-adamantylcarbamoylamino)-5-fluoro-phenyl]-3,5-ditert-butyl-4-hydroxy-benzamide CAS Name: N-[2-[[(1-adamantylamino)-oxomethyl]amino]-5-fluorophenyl]-3,5-ditert-butyl-4-hydroxybenzamide IUPAC Name: N-[2-(1-adamantylcarbamoylamino)-5-fluorophenyl]-3,5-ditert-butyl-4-hydroxybenzamide Traditional Name: N-[2-(1-adamantylcarbamoylamino)-5-fluoro-phenyl]-3,5-ditert-butyl-4-hydroxy-benzamide Formula: C32H42FN3O3 MolecularWeight: 535.692583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=C(C=CC(=C2)F)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=C(C=CC(=C2)F)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C32H42FN3O3/c1-30(2,3)23-12-21(13-24(27(23)37)31(4,5)6)28(38)34-26-14-22(33)7-8-25(26)35-29(39)36-32-15-18-9-19(16-32)11-20(10-18)17-32/h7-8,12-14,18-20,37H,9-11,15-17H2,1-6H3,(H,34,38)(H2,35,36,39)