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

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]carbonylspiro[4H-isochromene-3,1'-cyclohexane]-1-one Openeye Name: 4'-[4-(2-hydroxyethyl)piperazine-1-carbonyl]spiro[cyclohexane-1,3'-isochromane]-1'-one CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-1-spiro[3,4-dihydro-1H-2-benzopyran-3,1'-cyclohexane]one IUPAC Name: 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]spiro[4H-isochromene-3,1'-cyclohexane]-1-one Traditional Name: 4'-[4-(2-hydroxyethyl)piperazine-1-carbonyl]spiro[cyclohexane-1,3'-isochroman]-1'-one Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C3=CC=CC=C3C(=O)O2)C(=O)N4CCN(CC4)CCO

Isomeric SMILES

C1CCC2(CC1)C(C3=CC=CC=C3C(=O)O2)C(=O)N4CCN(CC4)CCO

InChI

InChI=1S/C21H28N2O4/c24-15-14-22-10-12-23(13-11-22)19(25)18-16-6-2-3-7-17(16)20(26)27-21(18)8-4-1-5-9-21/h2-3,6-7,18,24H,1,4-5,8-15H2