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

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

Systemtic Name:1-[(5-bromanyl-2-ethoxy-phenyl)-(3-methylphenyl)methyl]-1,4-diazepane
Openeye Name:1-[(5-bromo-2-ethoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane
CAS Name:1-[(5-bromo-2-ethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
IUPAC Name:1-[(5-bromo-2-ethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
Traditional Name:1-[(5-bromo-2-ethoxy-phenyl)-(m-tolyl)methyl]-1,4-diazepane
Formula: C21H27BrN2O
MolecularWeight: 403.35588
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC(=C2)C)N3CCCNCC3


Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC(=C2)C)N3CCCNCC3


InChI

InChI=1S/C21H27BrN2O/c1-3-25-20-9-8-18(22)15-19(20)21(17-7-4-6-16(2)14-17)24-12-5-10-23-11-13-24/h4,6-9,14-15,21,23H,3,5,10-13H2,1-2H3


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