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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3)OC)OC

InChI

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