4-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoylamino]adamantane-1-carboxamide

Systemtic Name: 4-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoylamino]adamantane-1-carboxamide Openeye Name: 4-[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propanoylamino]adamantane-1-carboxamide CAS Name: 4-[[1-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoylamino]adamantane-1-carboxamide Traditional Name: 4-[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propanoylamino]adamantane-1-carboxamide Formula: C24H32F3N5O2 MolecularWeight: 479.53839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32F3N5O2/c1-14(31-4-6-32(7-5-31)19-3-2-18(13-29-19)24(25,26)27)21(33)30-20-16-8-15-9-17(20)12-23(10-15,11-16)22(28)34/h2-3,13-17,20H,4-12H2,1H3,(H2,28,34)(H,30,33)