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

Systemtic Name: 1-(4-nitrophenyl)-4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-yl-piperazine hydrochloride Openeye Name: 1-(4-nitrophenyl)-4-spiro[1H-isobenzofuran-3,4'-cyclohexane]-1'-yl-piperazine hydrochloride CAS Name: 1-(4-nitrophenyl)-4-(1'-spiro[1H-isobenzofuran-3,4'-cyclohexane]yl)piperazine hydrochloride IUPAC Name: 1-(4-nitrophenyl)-4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazine hydrochloride Traditional Name: 1-(4-nitrophenyl)-4-spiro[cyclohexane-4,1'-phthalan]-1-yl-piperazine hydrochloride Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5CO2.Cl

Isomeric SMILES

C1CC2(CCC1N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5CO2.Cl

InChI

InChI=1S/C23H27N3O3.ClH/c27-26(28)21-7-5-19(6-8-21)24-13-15-25(16-14-24)20-9-11-23(12-10-20)22-4-2-1-3-18(22)17-29-23;/h1-8,20H,9-17H2;1H