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

Systemtic Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[3-(2-pyridyl)propanoyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[1-oxo-3-(2-pyridinyl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[3-(2-pyridyl)propanoyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)CCC3=CC=CC=N3)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)CCC3=CC=CC=N3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4/c30-25(10-9-23-8-4-5-13-27-23)29-18-24(33-20-22-6-2-1-3-7-22)17-28(26(31)19-29)16-21-11-14-32-15-12-21/h1-8,13,21,24H,9-12,14-20H2