1-(1-adamantyl)-4-bromanyl-N,N-diphenyl-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-bromanyl-N,N-diphenyl-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-bromo-N,N-diphenyl-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-bromo-N,N-diphenyl-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-bromo-N,N-diphenylpyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-bromo-N,N-diphenyl-pyrazole-3-carboxamide Formula: C26H26BrN3O MolecularWeight: 476.40814

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)Br

InChI

InChI=1S/C26H26BrN3O/c27-23-17-29(26-14-18-11-19(15-26)13-20(12-18)16-26)28-24(23)25(31)30(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,17-20H,11-16H2