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

Systemtic Name: 1-phenethyl-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 1-phenethyl-6-(4-pyridylmethoxy)-4-[3-(2-pyridyl)propanoyl]-1,4-diazepan-2-one CAS Name: 4-[1-oxo-3-(2-pyridinyl)propyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-phenethyl-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 1-phenethyl-6-(4-pyridylmethoxy)-4-[3-(2-pyridyl)propanoyl]-1,4-diazepan-2-one Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)CCC2=CC=CC=N2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)CCC2=CC=CC=N2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C27H30N4O3/c32-26(10-9-24-8-4-5-14-29-24)31-19-25(34-21-23-11-15-28-16-12-23)18-30(27(33)20-31)17-13-22-6-2-1-3-7-22/h1-8,11-12,14-16,25H,9-10,13,17-21H2