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

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(2-bromanylphenoxy)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-3-(2-bromophenoxy)-7-hydroxy-chromen-4-one CAS Name: 8-(1-azepanylmethyl)-3-(2-bromophenoxy)-7-hydroxy-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-3-(2-bromophenoxy)-7-hydroxychromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-3-(2-bromophenoxy)-7-hydroxy-chromone Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)O

InChI

InChI=1S/C22H22BrNO4/c23-17-7-3-4-8-19(17)28-20-14-27-22-15(21(20)26)9-10-18(25)16(22)13-24-11-5-1-2-6-12-24/h3-4,7-10,14,25H,1-2,5-6,11-13H2