4'-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one

Systemtic Name: 4'-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C28H24N2O2 MolecularWeight: 420.50236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=CC(=NN3)C4=CC=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O2

Isomeric SMILES

C1CC2(CCC1C3=CC(=NN3)C4=CC=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O2

InChI

InChI=1S/C28H24N2O2/c31-27-23-11-4-5-12-24(23)28(32-27)15-13-20(14-16-28)25-18-26(30-29-25)22-10-6-9-21(17-22)19-7-2-1-3-8-19/h1-12,17-18,20H,13-16H2,(H,29,30)