4-but-2-ynoyl-1-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-but-2-ynoyl-1-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-but-2-ynoyl-1-cyclohexyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-(1-oxobut-2-ynyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-but-2-ynoyl-1-cyclohexyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-but-2-ynoyl-1-cyclohexyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CC(CN(C(=O)C1)C2CCCCC2)OCC3=CC=NC=C3

Isomeric SMILES

CC#CC(=O)N1CC(CN(C(=O)C1)C2CCCCC2)OCC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O3/c1-2-6-20(25)23-13-19(27-16-17-9-11-22-12-10-17)14-24(21(26)15-23)18-7-4-3-5-8-18/h9-12,18-19H,3-5,7-8,13-16H2,1H3