2-(4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 2-(4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 2-(4-spiro[1H-isobenzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)benzonitrile CAS Name: 2-[4-(1'-spiro[1H-isobenzofuran-3,4'-cyclohexane]yl)-1-piperazinyl]benzonitrile IUPAC Name: 2-(4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)benzonitrile Traditional Name: 2-(4-spiro[cyclohexane-4,1'-phthalan]-1-ylpiperazino)benzonitrile Formula: C24H27N3O MolecularWeight: 373.49068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1N3CCN(CC3)C4=CC=CC=C4C#N)C5=CC=CC=C5CO2

Isomeric SMILES

C1CC2(CCC1N3CCN(CC3)C4=CC=CC=C4C#N)C5=CC=CC=C5CO2

InChI

InChI=1S/C24H27N3O/c25-17-19-5-2-4-8-23(19)27-15-13-26(14-16-27)21-9-11-24(12-10-21)22-7-3-1-6-20(22)18-28-24/h1-8,21H,9-16,18H2