1-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane

Systemtic Name: 1-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(3,4-dimethoxyphenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(3,4-dimethoxyphenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(3,4-dimethoxyphenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OC

InChI

InChI=1S/C20H27N3O2/c1-24-19-8-7-16(14-20(19)25-2)18(15-17-6-3-4-10-22-17)23-12-5-9-21-11-13-23/h3-4,6-8,10,14,18,21H,5,9,11-13,15H2,1-2H3