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

Systemtic Name: 1-phenethyl-6-(pyridin-4-ylmethoxy)-4-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 1-phenethyl-6-(4-pyridylmethoxy)-4-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 1-phenethyl-6-(pyridin-4-ylmethoxy)-4-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-phenethyl-6-(pyridin-4-ylmethoxy)-4-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 1-phenethyl-6-(4-pyridylmethoxy)-4-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1CC2=CN=CC=C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1C(CN(C(=O)CN1CC2=CN=CC=C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C25H28N4O2/c30-25-19-28(16-23-7-4-11-27-15-23)17-24(31-20-22-8-12-26-13-9-22)18-29(25)14-10-21-5-2-1-3-6-21/h1-9,11-13,15,24H,10,14,16-20H2