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

Systemtic Name: 3-(4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)benzenecarbonitrile hydrochloride Openeye Name: 3-(4-spiro[1H-isobenzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)benzonitrile hydrochloride CAS Name: 3-[4-(1'-spiro[1H-isobenzofuran-3,4'-cyclohexane]yl)-1-piperazinyl]benzonitrile hydrochloride IUPAC Name: 3-(4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)benzonitrile hydrochloride Traditional Name: 3-(4-spiro[cyclohexane-4,1'-phthalan]-1-ylpiperazino)benzonitrile hydrochloride Formula: C24H28ClN3O MolecularWeight: 409.95162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1N3CCN(CC3)C4=CC=CC(=C4)C#N)C5=CC=CC=C5CO2.Cl

Isomeric SMILES

C1CC2(CCC1N3CCN(CC3)C4=CC=CC(=C4)C#N)C5=CC=CC=C5CO2.Cl

InChI

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