N-(1-adamantylmethyl)-5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Formula: C22H25ClFN3O MolecularWeight: 401.904803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H25ClFN3O/c1-13-19(20(23)27(26-13)18-4-2-17(24)3-5-18)21(28)25-12-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-12H2,1H3,(H,25,28)