N-[(E)-[5-chloranyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-[5-chloranyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(E)-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyleneamino]adamantane-1-carboxamide CAS Name: N-[(E)-[5-chloro-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(E)-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyleneamino]adamantane-1-carboxamide Formula: C17H20ClF3N4O MolecularWeight: 388.81511

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C=NNC(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)/C=N/NC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C17H20ClF3N4O/c1-25-14(18)12(13(24-25)17(19,20)21)8-22-23-15(26)16-5-9-2-10(6-16)4-11(3-9)7-16/h8-11H,2-7H2,1H3,(H,23,26)/b22-8+