N-(1-adamantylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propionamide Formula: C24H32F3N5O2 MolecularWeight: 479.53839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F

InChI

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