3-(1-adamantyl)-N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C30H30BrN5O MolecularWeight: 556.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=CC(=C5)CN6C=C(C=N6)Br)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=CC(=C5)CN6C=C(C=N6)Br)C7=CC=CC=C7

InChI

InChI=1S/C30H30BrN5O/c31-24-16-32-35(18-24)17-20-5-4-6-25(12-20)33-29(37)27-19-36(26-7-2-1-3-8-26)34-28(27)30-13-21-9-22(14-30)11-23(10-21)15-30/h1-8,12,16,18-19,21-23H,9-11,13-15,17H2,(H,33,37)