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

Systemtic Name: 1'-[5-(3-bromophenyl)-1H-pyrazol-3-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one Openeye Name: 1'-[5-(3-bromophenyl)-1H-pyrazol-3-yl]spiro[isobenzofuran-3,4'-piperidine]-1-one CAS Name: 1'-[5-(3-bromophenyl)-1H-pyrazol-3-yl]-1-spiro[isobenzofuran-3,4'-piperidine]one IUPAC Name: 1'-[5-(3-bromophenyl)-1H-pyrazol-3-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one Traditional Name: 1'-[5-(3-bromophenyl)-1H-pyrazol-3-yl]spiro[phthalan-3,4'-piperidine]-1-one Formula: C21H18BrN3O2 MolecularWeight: 424.29052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O2/c22-15-5-3-4-14(12-15)18-13-19(24-23-18)25-10-8-21(9-11-25)17-7-2-1-6-16(17)20(26)27-21/h1-7,12-13H,8-11H2,(H,23,24)