5-(1-adamantyl)-N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(E)-(2-chloro-6-fluoro-phenyl)methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(E)-(2-chloro-6-fluoro-benzylidene)amino]-1H-pyrazole-3-carboxamide Formula: C21H22ClFN4O MolecularWeight: 400.876983

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NN=CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)N/N=C/C5=C(C=CC=C5Cl)F

InChI

InChI=1S/C21H22ClFN4O/c22-16-2-1-3-17(23)15(16)11-24-27-20(28)18-7-19(26-25-18)21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,11-14H,4-6,8-10H2,(H,25,26)(H,27,28)/b24-11+