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

Systemtic Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)pyridin-3-yl]methyl]-1,4-diazepane Openeye Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)-3-pyridyl]methyl]-1,4-diazepane CAS Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1,4-diazepane IUPAC Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)pyridin-3-yl]methyl]-1,4-diazepane Traditional Name: 1,4-bis[[2-(3,4,5-trimethoxyphenyl)-3-pyridyl]methyl]-1,4-diazepane Formula: C35H42N4O6 MolecularWeight: 614.73118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C=CC=N2)CN3CCCN(CC3)CC4=C(N=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C=CC=N2)CN3CCCN(CC3)CC4=C(N=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C35H42N4O6/c1-40-28-18-26(19-29(41-2)34(28)44-5)32-24(10-7-12-36-32)22-38-14-9-15-39(17-16-38)23-25-11-8-13-37-33(25)27-20-30(42-3)35(45-6)31(21-27)43-4/h7-8,10-13,18-21H,9,14-17,22-23H2,1-6H3