1-[1,3-benzodioxol-5-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-ethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-ethoxy-phenyl)methyl]-1,4-diazepane Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C21H25BrN2O3/c1-2-25-18-7-5-16(22)13-17(18)21(24-10-3-8-23-9-11-24)15-4-6-19-20(12-15)27-14-26-19/h4-7,12-13,21,23H,2-3,8-11,14H2,1H3