N-[(2R)-1-(1-adamantylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(2R)-1-(1-adamantylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1R)-1-(1-adamantylmethylcarbamoyl)-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2R)-1-(1-adamantylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2R)-1-(1-adamantylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1R)-1-(1-adamantylmethylcarbamoyl)-2-methyl-propyl]-2-fluoro-benzamide Formula: C23H31FN2O2 MolecularWeight: 386.502843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C)[C@H](C(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H31FN2O2/c1-14(2)20(26-21(27)18-5-3-4-6-19(18)24)22(28)25-13-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17,20H,7-13H2,1-2H3,(H,25,28)(H,26,27)/t15?,16?,17?,20-,23?/m1/s1