N-[1-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[[2-(3-fluorophenoxy)-3-pyridyl]methylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[[2-(3-fluorophenoxy)pyridin-3-yl]methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[[2-(3-fluorophenoxy)-3-pyridyl]methylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C28H34FN3O3 MolecularWeight: 479.586263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(N=CC=C1)OC2=CC(=CC=C2)F)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NCC1=C(N=CC=C1)OC2=CC(=CC=C2)F)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H34FN3O3/c1-17(2)24(32-27(34)28-13-18-9-19(14-28)11-20(10-18)15-28)25(33)31-16-21-5-4-8-30-26(21)35-23-7-3-6-22(29)12-23/h3-8,12,17-20,24H,9-11,13-16H2,1-2H3,(H,31,33)(H,32,34)