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

Systemtic Name: 1,4-bis[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1,4-bis[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1,4-diazepane CAS Name: 1,4-bis[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1,4-bis[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1,4-bis[4-(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=C(C=C2)CN3CCCN(CC3)CC4=CC=C(C=C4)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC=C(C=C2)CN3CCCN(CC3)CC4=CC=C(C=C4)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C37H44N2O6/c1-40-32-20-30(21-33(41-2)36(32)44-5)28-12-8-26(9-13-28)24-38-16-7-17-39(19-18-38)25-27-10-14-29(15-11-27)31-22-34(42-3)37(45-6)35(23-31)43-4/h8-15,20-23H,7,16-19,24-25H2,1-6H3