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

Systemtic Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(1,3-thiazol-5-ylcarbonyl)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-(thiazole-5-carbonyl)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[oxo(5-thiazolyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(1,3-thiazole-5-carbonyl)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-(thiazole-5-carbonyl)-1,4-diazepan-2-one Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CN=CS3)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CN=CS3)OCC4=CN=CC=C4

InChI

InChI=1S/C21H26N4O3S/c26-20-13-24(21(27)19-10-23-15-29-19)11-18(28-14-16-5-4-8-22-9-16)12-25(20)17-6-2-1-3-7-17/h4-5,8-10,15,17-18H,1-3,6-7,11-14H2