1-[5-(4-chloranyl-3,5-dimethoxy-phenyl)pyridin-2-yl]-1,4-diazepane; methanesulfonic acid

Systemtic Name: 1-[5-(4-chloranyl-3,5-dimethoxy-phenyl)pyridin-2-yl]-1,4-diazepane; methanesulfonic acid Openeye Name: 1-[5-(4-chloro-3,5-dimethoxy-phenyl)-2-pyridyl]-1,4-diazepane; methanesulfonic acid CAS Name: 1-[5-(4-chloro-3,5-dimethoxyphenyl)-2-pyridinyl]-1,4-diazepane; methanesulfonic acid IUPAC Name: 1-[5-(4-chloro-3,5-dimethoxyphenyl)pyridin-2-yl]-1,4-diazepane; methanesulfonic acid Traditional Name: 1-[5-(4-chloro-3,5-dimethoxy-phenyl)-2-pyridyl]-1,4-diazepane; mesylic acid Formula: C20H30ClN3O8S2 MolecularWeight: 540.0505

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Cl)OC)C2=CN=C(C=C2)N3CCCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1Cl)OC)C2=CN=C(C=C2)N3CCCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C18H22ClN3O2.2CH4O3S/c1-23-15-10-14(11-16(24-2)18(15)19)13-4-5-17(21-12-13)22-8-3-6-20-7-9-22;2*1-5(2,3)4/h4-5,10-12,20H,3,6-9H2,1-2H3;2*1H3,(H,2,3,4)