1'-[(3-tert-butyl-1-phenyl-pyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

Systemtic Name: 1'-[(3-tert-butyl-1-phenyl-pyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] Openeye Name: 1'-[(3-tert-butyl-1-phenyl-pyrazol-4-yl)methyl]spiro[1H-isobenzofuran-3,4'-piperidine] CAS Name: 1'-[(3-tert-butyl-1-phenyl-4-pyrazolyl)methyl]spiro[1H-isobenzofuran-3,4'-piperidine] IUPAC Name: 1'-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] Traditional Name: 1'-[(3-tert-butyl-1-phenyl-pyrazol-4-yl)methyl]spiro[phthalan-1,4'-piperidine] Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1CN2CCC3(CC2)C4=CC=CC=C4CO3)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C=C1CN2CCC3(CC2)C4=CC=CC=C4CO3)C5=CC=CC=C5

InChI

InChI=1S/C26H31N3O/c1-25(2,3)24-21(18-29(27-24)22-10-5-4-6-11-22)17-28-15-13-26(14-16-28)23-12-8-7-9-20(23)19-30-26/h4-12,18H,13-17,19H2,1-3H3