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

Systemtic Name: 1-(phenylmethyl)-4-(3-pyrazin-2-ylpropanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(3-pyrazin-2-ylpropanoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[1-oxo-3-(2-pyrazinyl)propyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(3-pyrazin-2-ylpropanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(3-pyrazin-2-ylpropanoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)CCC2=NC=CN=C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)CCC2=NC=CN=C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C25H27N5O3/c31-24(9-8-22-14-27-11-12-28-22)30-17-23(33-19-21-7-4-10-26-13-21)16-29(25(32)18-30)15-20-5-2-1-3-6-20/h1-7,10-14,23H,8-9,15-19H2