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

Systemtic Name: 1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-thiophen-3-ylcarbonyl-1,4-diazepan-2-one Openeye Name: 6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-4-(thiophene-3-carbonyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[oxo(3-thiophenyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(thiophene-3-carbonyl)-1,4-diazepan-2-one Traditional Name: 6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-4-(3-thenoyl)-1,4-diazepan-2-one Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c26-21-14-25(22(27)19-5-9-30-16-19)13-20(29-15-18-2-1-6-23-10-18)12-24(21)11-17-3-7-28-8-4-17/h1-2,5-6,9-10,16-17,20H,3-4,7-8,11-15H2