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

Systemtic Name: 1-[pyridin-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[2-pyridyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[2-pyridinyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[pyridin-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[2-pyridyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=N2)N3CCCNCC3

InChI

InChI=1S/C20H27N3O3/c1-24-17-13-15(14-18(25-2)20(17)26-3)19(16-7-4-5-9-22-16)23-11-6-8-21-10-12-23/h4-5,7,9,13-14,19,21H,6,8,10-12H2,1-3H3