1-(1-adamantyl)-4-bromanyl-N-(4-methylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-bromanyl-N-(4-methylphenyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-bromo-N-(p-tolyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-bromo-N-(4-methylphenyl)-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-bromo-N-(4-methylphenyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-bromo-N-(p-tolyl)pyrazole-3-carboxamide Formula: C21H24BrN3O MolecularWeight: 414.33876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24BrN3O/c1-13-2-4-17(5-3-13)23-20(26)19-18(22)12-25(24-19)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,12,14-16H,6-11H2,1H3,(H,23,26)