1-(1-adamantyl)-4-bromanyl-N-(3-chloranyl-4-methyl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-bromanyl-N-(3-chloranyl-4-methyl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-bromo-N-(3-chloro-4-methyl-phenyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-bromo-N-(3-chloro-4-methylphenyl)-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-bromo-N-(3-chloro-4-methylphenyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-bromo-N-(3-chloro-4-methyl-phenyl)pyrazole-3-carboxamide Formula: C21H23BrClN3O MolecularWeight: 448.78382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O/c1-12-2-3-16(7-18(12)23)24-20(27)19-17(22)11-26(25-19)21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,11,13-15H,4-6,8-10H2,1H3,(H,24,27)