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

Systemtic Name: 1-(4-nitrophenyl)-4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-yl-piperazine Openeye Name: 1-(4-nitrophenyl)-4-spiro[1H-isobenzofuran-3,4'-cyclohexane]-1'-yl-piperazine CAS Name: 1-(4-nitrophenyl)-4-(1'-spiro[1H-isobenzofuran-3,4'-cyclohexane]yl)piperazine IUPAC Name: 1-(4-nitrophenyl)-4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazine Traditional Name: 1-(4-nitrophenyl)-4-spiro[cyclohexane-4,1'-phthalan]-1-yl-piperazine Formula: C23H27N3O3 MolecularWeight: 393.47878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/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