N-[1-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C27H35FN4O2 MolecularWeight: 466.590803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=C(C(=CC=C2)F)C#N)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=C(C(=CC=C2)F)C#N)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35FN4O2/c1-17(2)24(30-26(34)27-13-18-10-19(14-27)12-20(11-18)15-27)25(33)32-8-6-31(7-9-32)23-5-3-4-22(28)21(23)16-29/h3-5,17-20,24H,6-15H2,1-2H3,(H,30,34)