N-(1-adamantyl)-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Openeye Name: N-(1-adamantyl)-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide CAS Name: N-(1-adamantyl)-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(1-adamantyl)-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Traditional Name: N-(1-adamantyl)-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Formula: C22H27FN4O MolecularWeight: 382.474383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=NN(C(=N1)C)C2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(C(=O)C1=NN(C(=N1)C)C2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27FN4O/c1-3-26(22-11-15-8-16(12-22)10-17(9-15)13-22)21(28)20-24-14(2)27(25-20)19-6-4-18(23)5-7-19/h4-7,15-17H,3,8-13H2,1-2H3