1-cyclohexyl-4-[5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-[5-(3-hydroxy-3-methyl-but-1-ynyl)furan-2-carbonyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-furanyl]-oxomethyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-furoyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(O1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CN=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(O1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CN=CC=C4)O

InChI

InChI=1S/C27H33N3O5/c1-27(2,33)13-12-22-10-11-24(35-22)26(32)29-16-23(34-19-20-7-6-14-28-15-20)17-30(25(31)18-29)21-8-4-3-5-9-21/h6-7,10-11,14-15,21,23,33H,3-5,8-9,16-19H2,1-2H3