4-[3-(cyclohexylamino)-2-oxidanyl-propoxy]-2-methyl-1H-isoquinolin-1-ol

Systemtic Name: 4-[3-(cyclohexylamino)-2-oxidanyl-propoxy]-2-methyl-1H-isoquinolin-1-ol Openeye Name: 4-[3-(cyclohexylamino)-2-hydroxy-propoxy]-2-methyl-1H-isoquinolin-1-ol CAS Name: 4-[3-(cyclohexylamino)-2-hydroxypropoxy]-2-methyl-1H-isoquinolin-1-ol IUPAC Name: 4-[3-(cyclohexylamino)-2-hydroxypropoxy]-2-methyl-1H-isoquinolin-1-ol Traditional Name: 4-[3-(cyclohexylamino)-2-hydroxy-propoxy]-2-methyl-1H-isoquinolin-1-ol Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1O)OCC(CNC3CCCCC3)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1O)OCC(CNC3CCCCC3)O

InChI

InChI=1S/C19H28N2O3/c1-21-12-18(16-9-5-6-10-17(16)19(21)23)24-13-15(22)11-20-14-7-3-2-4-8-14/h5-6,9-10,12,14-15,19-20,22-23H,2-4,7-8,11,13H2,1H3