8-(azepan-1-ylmethyl)-3-(2-bromanylphenoxy)-2-methyl-7-oxidanyl-chromen-4-one

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(2-bromanylphenoxy)-2-methyl-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-3-(2-bromophenoxy)-7-hydroxy-2-methyl-chromen-4-one CAS Name: 8-(1-azepanylmethyl)-3-(2-bromophenoxy)-7-hydroxy-2-methyl-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-3-(2-bromophenoxy)-7-hydroxy-2-methylchromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-3-(2-bromophenoxy)-7-hydroxy-2-methyl-chromone Formula: C23H24BrNO4 MolecularWeight: 458.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCCC3)OC4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCCC3)OC4=CC=CC=C4Br

InChI

InChI=1S/C23H24BrNO4/c1-15-22(29-20-9-5-4-8-18(20)24)21(27)16-10-11-19(26)17(23(16)28-15)14-25-12-6-2-3-7-13-25/h4-5,8-11,26H,2-3,6-7,12-14H2,1H3