4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide

Systemtic Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide Openeye Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide CAS Name: 4-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxamide Traditional Name: 4-[[2-[4-(4-fluorophenyl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxamide Formula: C25H35FN4O2 MolecularWeight: 442.569403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H35FN4O2/c1-24(2,30-9-7-29(8-10-30)20-5-3-19(26)4-6-20)23(32)28-21-17-11-16-12-18(21)15-25(13-16,14-17)22(27)31/h3-6,16-18,21H,7-15H2,1-2H3,(H2,27,31)(H,28,32)