1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-4-(1,3-thiazol-5-ylcarbonyl)-1,4-diazepan-2-one

Systemtic Name: 1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-4-(1,3-thiazol-5-ylcarbonyl)-1,4-diazepan-2-one Openeye Name: 1-benzyl-6-(3-pyridylmethoxy)-4-(thiazole-5-carbonyl)-1,4-diazepan-2-one CAS Name: 4-[oxo(5-thiazolyl)methyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-6-(pyridin-3-ylmethoxy)-4-(1,3-thiazole-5-carbonyl)-1,4-diazepan-2-one Traditional Name: 1-benzyl-6-(3-pyridylmethoxy)-4-(thiazole-5-carbonyl)-1,4-diazepan-2-one Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)C2=CN=CS2)CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)C2=CN=CS2)CC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C22H22N4O3S/c27-21-14-26(22(28)20-10-24-16-30-20)13-19(29-15-18-7-4-8-23-9-18)12-25(21)11-17-5-2-1-3-6-17/h1-10,16,19H,11-15H2