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

Systemtic Name: 3-(1-adamantyl)-N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C30H30BrN5O2 MolecularWeight: 572.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CN(N=C5)COC6=CC=C(C=C6)Br)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CN(N=C5)COC6=CC=C(C=C6)Br)C7=CC=CC=C7

InChI

InChI=1S/C30H30BrN5O2/c31-23-6-8-26(9-7-23)38-19-35-17-24(16-32-35)33-29(37)27-18-36(25-4-2-1-3-5-25)34-28(27)30-13-20-10-21(14-30)12-22(11-20)15-30/h1-9,16-18,20-22H,10-15,19H2,(H,33,37)