1-cyclohexyl-4-(3-pyrazol-1-ylpropanoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(3-pyrazol-1-ylpropanoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(3-pyrazol-1-ylpropanoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[1-oxo-3-(1-pyrazolyl)propyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(3-pyrazol-1-ylpropanoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(3-pyrazol-1-ylpropanoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCN3C=CC=N3)OCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCN3C=CC=N3)OCC4=CC=CC=N4

InChI

InChI=1S/C23H31N5O3/c29-22(10-14-27-13-6-12-25-27)26-15-21(31-18-19-7-4-5-11-24-19)16-28(23(30)17-26)20-8-2-1-3-9-20/h4-7,11-13,20-21H,1-3,8-10,14-18H2