3-(1-adamantyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2-benzoyl-4-chloro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2-benzoyl-4-chlorophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2-benzoyl-4-chlorophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2-benzoyl-4-chloro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C33H30ClN3O2 MolecularWeight: 536.0632

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C33H30ClN3O2/c34-25-11-12-29(27(16-25)30(38)24-7-3-1-4-8-24)35-32(39)28-20-37(26-9-5-2-6-10-26)36-31(28)33-17-21-13-22(18-33)15-23(14-21)19-33/h1-12,16,20-23H,13-15,17-19H2,(H,35,39)