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

Systemtic Name: 1-[5-(3,5-dimethoxy-4-propan-2-yloxy-phenyl)pyridin-2-yl]-1,4-diazepane; methanesulfonic acid Openeye Name: 1-[5-(4-isopropoxy-3,5-dimethoxy-phenyl)-2-pyridyl]-1,4-diazepane; methanesulfonic acid CAS Name: 1-[5-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-2-pyridinyl]-1,4-diazepane; methanesulfonic acid IUPAC Name: 1-[5-(3,5-dimethoxy-4-propan-2-yloxyphenyl)pyridin-2-yl]-1,4-diazepane; methanesulfonic acid Traditional Name: 1-[5-(4-isopropoxy-3,5-dimethoxy-phenyl)-2-pyridyl]-1,4-diazepane; mesylic acid Formula: C23H37N3O9S2 MolecularWeight: 563.68458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1OC)C2=CN=C(C=C2)N3CCCNCC3)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1OC)C2=CN=C(C=C2)N3CCCNCC3)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C21H29N3O3.2CH4O3S/c1-15(2)27-21-18(25-3)12-17(13-19(21)26-4)16-6-7-20(23-14-16)24-10-5-8-22-9-11-24;2*1-5(2,3)4/h6-7,12-15,22H,5,8-11H2,1-4H3;2*1H3,(H,2,3,4)