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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29BrN2O4 MolecularWeight: 465.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCNCC3

InChI

InChI=1S/C22H29BrN2O4/c1-26-18-7-6-16(23)14-17(18)21(25-10-5-8-24-9-11-25)15-12-19(27-2)22(29-4)20(13-15)28-3/h6-7,12-14,21,24H,5,8-11H2,1-4H3