(5S,7R)-3-acetamido-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyladamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-adamantane-1-carboxamide Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N(C)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)N(C)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H28FN3O3/c1-14(27)25-22-10-15-6-16(11-22)9-21(8-15,13-22)20(29)26(2)12-19(28)24-18-5-3-4-17(23)7-18/h3-5,7,15-16H,6,8-13H2,1-2H3,(H,24,28)(H,25,27)/t15-,16+,21?,22?