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

Systemtic Name: 1,4-bis[[4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]methyl]-1,4-diazepane Openeye Name: 1,4-bis[[4-(3,4,5-trimethoxyphenyl)-2-pyridyl]methyl]-1,4-diazepane CAS Name: 1,4-bis[[4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4-diazepane IUPAC Name: 1,4-bis[[4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]methyl]-1,4-diazepane Traditional Name: 1,4-bis[[4-(3,4,5-trimethoxyphenyl)-2-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=CC(=NC=C2)CN3CCCN(CC3)CC4=NC=CC(=C4)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C35H42N4O6/c1-40-30-18-26(19-31(41-2)34(30)44-5)24-8-10-36-28(16-24)22-38-12-7-13-39(15-14-38)23-29-17-25(9-11-37-29)27-20-32(42-3)35(45-6)33(21-27)43-4/h8-11,16-21H,7,12-15,22-23H2,1-6H3