N-[1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: N-[1-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-fluoro-benzamide Formula: C27H36FN3O3 MolecularWeight: 469.591443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H36FN3O3/c1-17(2)23(29-24(32)21-3-5-22(28)6-4-21)25(33)30-7-9-31(10-8-30)26(34)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-6,17-20,23H,7-16H2,1-2H3,(H,29,32)