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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3CNCCN3C4=CC=C(C=C4)C#N)C5=CC=CC=C5CO2

Isomeric SMILES

C1CC2(CCC1C3CNCCN3C4=CC=C(C=C4)C#N)C5=CC=CC=C5CO2

InChI

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