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

Systemtic Name: 1-[pyridin-3-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[3-pyridyl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[3-pyridinyl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[pyridin-3-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[3-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=CN=CC=C2)N3CCCNCC3)OC)OC

Isomeric SMILES

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

InChI

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