1-[4-(oxan-4-ylmethyl)-3-oxidanylidene-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]-2-phenyl-ethane-1,2-dione

Systemtic Name: 1-[4-(oxan-4-ylmethyl)-3-oxidanylidene-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]-2-phenyl-ethane-1,2-dione Openeye Name: 1-[3-oxo-6-(3-pyridylmethoxy)-4-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-1-yl]-2-phenyl-ethane-1,2-dione CAS Name: 1-[4-(4-oxanylmethyl)-3-oxo-6-(3-pyridinylmethoxy)-1,4-diazepan-1-yl]-2-phenylethane-1,2-dione IUPAC Name: 1-[4-(oxan-4-ylmethyl)-3-oxo-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]-2-phenylethane-1,2-dione Traditional Name: 1-[3-keto-6-(3-pyridylmethoxy)-4-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-1-yl]-2-phenyl-ethane-1,2-dione Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5/c29-23-17-28(25(31)24(30)21-6-2-1-3-7-21)16-22(33-18-20-5-4-10-26-13-20)15-27(23)14-19-8-11-32-12-9-19/h1-7,10,13,19,22H,8-9,11-12,14-18H2