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

Systemtic Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1,4-diazepane CAS Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1,4-bis[2-(3,4,5-trimethoxyphenyl)benzyl]-1,4-diazepane Formula: C37H44N2O6 MolecularWeight: 612.75506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC=CC=C2CN3CCCN(CC3)CC4=CC=CC=C4C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC=CC=C2CN3CCCN(CC3)CC4=CC=CC=C4C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C37H44N2O6/c1-40-32-20-28(21-33(41-2)36(32)44-5)30-14-9-7-12-26(30)24-38-16-11-17-39(19-18-38)25-27-13-8-10-15-31(27)29-22-34(42-3)37(45-6)35(23-29)43-4/h7-10,12-15,20-23H,11,16-19,24-25H2,1-6H3