1-[5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 1-[5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 1-[5-[3-(tert-butylamino)-2-hydroxy-propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 1-[5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 1-[5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 1-[5-[3-(tert-butylamino)-2-hydroxy-propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C=CC=C2OCC(CNC(C)(C)C)O

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C=CC=C2OCC(CNC(C)(C)C)O

InChI

InChI=1S/C18H28N2O3/c1-13(21)20-9-8-16-14(11-20)6-5-7-17(16)23-12-15(22)10-19-18(2,3)4/h5-7,15,19,22H,8-12H2,1-4H3