1-[6-[3-(tert-butylamino)-2-oxidanyl-propoxy]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Systemtic Name: 1-[6-[3-(tert-butylamino)-2-oxidanyl-propoxy]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[6-[3-(tert-butylamino)-2-hydroxy-propoxy]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 1-[6-[3-(tert-butylamino)-2-hydroxypropoxy]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 1-[6-[3-(tert-butylamino)-2-hydroxypropoxy]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[6-[3-(tert-butylamino)-2-hydroxy-propoxy]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C20H32N2O4/c1-6-19(24)22-8-7-14-9-18(17(25-5)10-15(14)12-22)26-13-16(23)11-21-20(2,3)4/h9-10,16,21,23H,6-8,11-13H2,1-5H3