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

Systemtic Name: 7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-(3-methylphenoxy)chromen-4-one Openeye Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(3-methylphenoxy)chromen-4-one CAS Name: 7-[3-(1-azepanyl)-2-hydroxypropoxy]-3-(3-methylphenoxy)-1-benzopyran-4-one IUPAC Name: 7-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-(3-methylphenoxy)chromen-4-one Traditional Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(3-methylphenoxy)chromone Formula: C25H29NO5 MolecularWeight: 423.50146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCCC4)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCCC4)O

InChI

InChI=1S/C25H29NO5/c1-18-7-6-8-21(13-18)31-24-17-30-23-14-20(9-10-22(23)25(24)28)29-16-19(27)15-26-11-4-2-3-5-12-26/h6-10,13-14,17,19,27H,2-5,11-12,15-16H2,1H3