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

Systemtic Name: 1'-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one Openeye Name: 1'-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]spiro[isobenzofuran-3,4'-piperidine]-1-one CAS Name: 1'-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]-1-spiro[isobenzofuran-3,4'-piperidine]one IUPAC Name: 1'-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one Traditional Name: 1'-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]spiro[phthalan-3,4'-piperidine]-1-one Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C3=CC=CC=C3C(=O)O2)C4=NNC(=C4)C5=CC=CC(=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC12C3=CC=CC=C3C(=O)O2)C4=NNC(=C4)C5=CC=CC(=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H23N3O2/c31-26-22-11-4-5-12-23(22)27(32-26)13-15-30(16-14-27)25-18-24(28-29-25)21-10-6-9-20(17-21)19-7-2-1-3-8-19/h1-12,17-18H,13-16H2,(H,28,29)