4-(5-bromanylpentyl)-2-(3,4-dimethoxyphenyl)-1,4-benzoxazin-3-one

Systemtic Name: 4-(5-bromanylpentyl)-2-(3,4-dimethoxyphenyl)-1,4-benzoxazin-3-one Openeye Name: 4-(5-bromopentyl)-2-(3,4-dimethoxyphenyl)-1,4-benzoxazin-3-one CAS Name: 4-(5-bromopentyl)-2-(3,4-dimethoxyphenyl)-1,4-benzoxazin-3-one IUPAC Name: 4-(5-bromopentyl)-2-(3,4-dimethoxyphenyl)-1,4-benzoxazin-3-one Traditional Name: 4-(5-bromopentyl)-2-(3,4-dimethoxyphenyl)-1,4-benzoxazin-3-one Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=O)N(C3=CC=CC=C3O2)CCCCCBr)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=O)N(C3=CC=CC=C3O2)CCCCCBr)OC

InChI

InChI=1S/C21H24BrNO4/c1-25-18-11-10-15(14-19(18)26-2)20-21(24)23(13-7-3-6-12-22)16-8-4-5-9-17(16)27-20/h4-5,8-11,14,20H,3,6-7,12-13H2,1-2H3