4-(5-ethanoylthiophen-3-yl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(5-ethanoylthiophen-3-yl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(5-acetylthiophene-3-carbonyl)-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(5-acetyl-3-thiophenyl)-oxomethyl]-1-(4-oxanylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(5-acetylthiophene-3-carbonyl)-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(5-acetylthiophene-3-carbonyl)-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4

InChI

InChI=1S/C24H29N3O5S/c1-17(28)22-9-20(16-33-22)24(30)27-13-21(32-15-19-3-2-6-25-10-19)12-26(23(29)14-27)11-18-4-7-31-8-5-18/h2-3,6,9-10,16,18,21H,4-5,7-8,11-15H2,1H3