1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(4-thiophen-2-ylbutanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(4-thiophen-2-ylbutanoyl)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-[4-(2-thienyl)butanoyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-(1-oxo-4-thiophen-2-ylbutyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(4-thiophen-2-ylbutanoyl)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-[4-(2-thienyl)butanoyl]-1,4-diazepan-2-one Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCCC3=CC=CS3)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCCC3=CC=CS3)OCC4=CN=CC=C4

InChI

InChI=1S/C25H33N3O3S/c29-24(12-4-10-23-11-6-14-32-23)27-16-22(31-19-20-7-5-13-26-15-20)17-28(25(30)18-27)21-8-2-1-3-9-21/h5-7,11,13-15,21-22H,1-4,8-10,12,16-19H2