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

Systemtic Name: 1-cyclohexyl-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-3-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-6-(4-pyridylmethoxy)-4-[3-(3-pyridyl)propanoyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[1-oxo-3-(3-pyridinyl)propyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-3-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-6-(4-pyridylmethoxy)-4-[3-(3-pyridyl)propanoyl]-1,4-diazepan-2-one Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCC3=CN=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCC3=CN=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C25H32N4O3/c30-24(9-8-20-5-4-12-27-15-20)28-16-23(32-19-21-10-13-26-14-11-21)17-29(25(31)18-28)22-6-2-1-3-7-22/h4-5,10-15,22-23H,1-3,6-9,16-19H2