7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[3-(1-azepanyl)-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[3-(azepan-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C19H25NO4 MolecularWeight: 331.4061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCCCCC3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCCCCC3)O

InChI

InChI=1S/C19H25NO4/c1-14-10-19(22)24-18-11-16(6-7-17(14)18)23-13-15(21)12-20-8-4-2-3-5-9-20/h6-7,10-11,15,21H,2-5,8-9,12-13H2,1H3