1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(2-thiophen-3-ylethanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(2-thiophen-3-ylethanoyl)-1,4-diazepan-2-one Openeye Name: 6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-4-[2-(3-thienyl)acetyl]-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[1-oxo-2-(3-thiophenyl)ethyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(2-thiophen-3-ylacetyl)-1,4-diazepan-2-one Traditional Name: 6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-4-[2-(3-thienyl)acetyl]-1,4-diazepan-2-one Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)CC3=CSC=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)CC3=CSC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C23H29N3O4S/c27-22(10-19-5-9-31-17-19)26-14-21(30-16-20-2-1-6-24-11-20)13-25(23(28)15-26)12-18-3-7-29-8-4-18/h1-2,5-6,9,11,17-18,21H,3-4,7-8,10,12-16H2