5-(4-chloranyl-3,5-dimethoxy-phenyl)-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 5-(4-chloranyl-3,5-dimethoxy-phenyl)-1-pyridin-2-yl-1,4-diazepane Openeye Name: 5-(4-chloro-3,5-dimethoxy-phenyl)-1-(2-pyridyl)-1,4-diazepane CAS Name: 5-(4-chloro-3,5-dimethoxyphenyl)-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 5-(4-chloro-3,5-dimethoxyphenyl)-1-pyridin-2-yl-1,4-diazepane Traditional Name: 5-(4-chloro-3,5-dimethoxy-phenyl)-1-(2-pyridyl)-1,4-diazepane Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Cl)OC)C2CCN(CCN2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1Cl)OC)C2CCN(CCN2)C3=CC=CC=N3

InChI

InChI=1S/C18H22ClN3O2/c1-23-15-11-13(12-16(24-2)18(15)19)14-6-9-22(10-8-20-14)17-5-3-4-7-21-17/h3-5,7,11-12,14,20H,6,8-10H2,1-2H3