N-(1-adamantylmethyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-(1-adamantylmethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide Formula: C22H28ClF3N4O MolecularWeight: 456.93213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28ClF3N4O/c23-18-8-17(22(24,25)26)12-27-19(18)29-1-3-30(4-2-29)20(31)28-13-21-9-14-5-15(10-21)7-16(6-14)11-21/h8,12,14-16H,1-7,9-11,13H2,(H,28,31)