3-oxidanylidene-N-(3-quinolin-3-ylpyrazol-1-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

Systemtic Name: 3-oxidanylidene-N-(3-quinolin-3-ylpyrazol-1-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide Openeye Name: 3-oxo-N-[3-(3-quinolyl)pyrazol-1-yl]spiro[isobenzofuran-1,4'-piperidine]-1'-carboxamide CAS Name: 3-oxo-N-[3-(3-quinolinyl)-1-pyrazolyl]-1'-spiro[isobenzofuran-1,4'-piperidine]carboxamide IUPAC Name: 3-oxo-N-(3-quinolin-3-ylpyrazol-1-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide Traditional Name: 3-keto-N-[3-(3-quinolyl)pyrazol-1-yl]spiro[phthalan-1,4'-piperidine]-1'-carboxamide Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C3=CC=CC=C3C(=O)O2)C(=O)NN4C=CC(=N4)C5=CC6=CC=CC=C6N=C5

Isomeric SMILES

C1CN(CCC12C3=CC=CC=C3C(=O)O2)C(=O)NN4C=CC(=N4)C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C25H21N5O3/c31-23-19-6-2-3-7-20(19)25(33-23)10-13-29(14-11-25)24(32)28-30-12-9-22(27-30)18-15-17-5-1-4-8-21(17)26-16-18/h1-9,12,15-16H,10-11,13-14H2,(H,28,32)