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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C23H31BrN2O4 MolecularWeight: 479.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrN2O4/c1-5-30-19-8-7-17(24)15-18(19)22(26-11-6-9-25-10-12-26)16-13-20(27-2)23(29-4)21(14-16)28-3/h7-8,13-15,22,25H,5-6,9-12H2,1-4H3