7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-(4-chloranyl-3,5-dimethyl-phenoxy)chromen-4-one

Systemtic Name: 7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-(4-chloranyl-3,5-dimethyl-phenoxy)chromen-4-one Openeye Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(4-chloro-3,5-dimethyl-phenoxy)chromen-4-one CAS Name: 7-[3-(1-azepanyl)-2-hydroxypropoxy]-3-(4-chloro-3,5-dimethylphenoxy)-1-benzopyran-4-one IUPAC Name: 7-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-(4-chloro-3,5-dimethylphenoxy)chromen-4-one Traditional Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-(4-chloro-3,5-dimethyl-phenoxy)chromone Formula: C26H30ClNO5 MolecularWeight: 471.9731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCCC4)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCCC4)O

InChI

InChI=1S/C26H30ClNO5/c1-17-11-21(12-18(2)25(17)27)33-24-16-32-23-13-20(7-8-22(23)26(24)30)31-15-19(29)14-28-9-5-3-4-6-10-28/h7-8,11-13,16,19,29H,3-6,9-10,14-15H2,1-2H3