5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-8-pent-4-yn-2-yloxy-1H-quinolin-2-one

Systemtic Name: 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-8-pent-4-yn-2-yloxy-1H-quinolin-2-one Openeye Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-8-(1-methylbut-3-ynoxy)-1H-quinolin-2-one CAS Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-pent-4-yn-2-yloxy-1H-quinolin-2-one IUPAC Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-pent-4-yn-2-yloxy-1H-quinolin-2-one Traditional Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-8-(1-methylbut-3-ynoxy)carbostyril Formula: C21H28N2O4 MolecularWeight: 372.45802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC#C)OC1=C2C(=C(C=C1)OCC(CNC(C)(C)C)O)C=CC(=O)N2

Isomeric SMILES

CC(CC#C)OC1=C2C(=C(C=C1)OCC(CNC(C)(C)C)O)C=CC(=O)N2

InChI

InChI=1S/C21H28N2O4/c1-6-7-14(2)27-18-10-9-17(16-8-11-19(25)23-20(16)18)26-13-15(24)12-22-21(3,4)5/h1,8-11,14-15,22,24H,7,12-13H2,2-5H3,(H,23,25)