1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(3-pyrazin-2-ylpropanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(3-pyrazin-2-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(3-pyrazin-2-ylpropanoyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[1-oxo-3-(2-pyrazinyl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(3-pyrazin-2-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(3-pyrazin-2-ylpropanoyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)CCC3=NC=CN=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)CCC3=NC=CN=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4/c30-24(7-6-22-14-26-10-11-27-22)29-17-23(33-19-21-4-2-1-3-5-21)16-28(25(31)18-29)15-20-8-12-32-13-9-20/h1-5,10-11,14,20,23H,6-9,12-13,15-19H2