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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O2/c1-3-26-20-9-8-17(22)15-19(20)21(24-12-5-10-23-11-13-24)16-6-4-7-18(14-16)25-2/h4,6-9,14-15,21,23H,3,5,10-13H2,1-2H3