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

Systemtic Name: 1-[pyridin-3-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[3-pyridyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[3-pyridinyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[pyridin-3-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[3-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=CN=CC=C2)N3CCCNCC3

Isomeric SMILES

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

InChI

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