4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylspiro[4H-isochromene-3,1'-cyclohexane]-1-one

Systemtic Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylspiro[4H-isochromene-3,1'-cyclohexane]-1-one Openeye Name: 4'-[4-(2-methoxyphenyl)piperazine-1-carbonyl]spiro[cyclohexane-1,3'-isochromane]-1'-one CAS Name: 4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1-spiro[3,4-dihydro-1H-2-benzopyran-3,1'-cyclohexane]one IUPAC Name: 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]spiro[4H-isochromene-3,1'-cyclohexane]-1-one Traditional Name: 4'-[4-(2-methoxyphenyl)piperazine-1-carbonyl]spiro[cyclohexane-1,3'-isochroman]-1'-one Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3C4=CC=CC=C4C(=O)OC35CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3C4=CC=CC=C4C(=O)OC35CCCCC5

InChI

InChI=1S/C26H30N2O4/c1-31-22-12-6-5-11-21(22)27-15-17-28(18-16-27)24(29)23-19-9-3-4-10-20(19)25(30)32-26(23)13-7-2-8-14-26/h3-6,9-12,23H,2,7-8,13-18H2,1H3