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

Systemtic Name: 1,4-bis[5-(3-methoxyphenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1,4-bis[5-(3-methoxyphenyl)-2-pyridyl]-1,4-diazepane CAS Name: 1,4-bis[5-(3-methoxyphenyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,4-bis[5-(3-methoxyphenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1,4-bis[5-(3-methoxyphenyl)-2-pyridyl]-1,4-diazepane Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C29H30N4O2/c1-34-26-8-3-6-22(18-26)24-10-12-28(30-20-24)32-14-5-15-33(17-16-32)29-13-11-25(21-31-29)23-7-4-9-27(19-23)35-2/h3-4,6-13,18-21H,5,14-17H2,1-2H3