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

Systemtic Name: N-[(2S)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C28H38FN3O3 MolecularWeight: 483.618023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H38FN3O3/c1-17(2)25(30-27(35)28-14-19-10-20(15-28)12-21(11-19)16-28)26(34)32-8-6-31(7-9-32)24-5-4-22(18(3)33)13-23(24)29/h4-5,13,17,19-21,25H,6-12,14-16H2,1-3H3,(H,30,35)/t19?,20?,21?,25-,28?/m0/s1