1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-diazepan-2-one Openeye Name: 6-(2-pyridylmethoxy)-4-[(4-pyrrolidin-1-ylphenyl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-4-[[4-(1-pyrrolidinyl)phenyl]methyl]-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-diazepan-2-one Traditional Name: 6-(2-pyridylmethoxy)-4-(4-pyrrolidinobenzyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CN3CC(CN(C(=O)C3)CC4CCOCC4)OCC5=CC=CC=N5

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CN3CC(CN(C(=O)C3)CC4CCOCC4)OCC5=CC=CC=N5

InChI

InChI=1S/C28H38N4O3/c33-28-21-30(17-23-6-8-26(9-7-23)31-13-3-4-14-31)19-27(35-22-25-5-1-2-12-29-25)20-32(28)18-24-10-15-34-16-11-24/h1-2,5-9,12,24,27H,3-4,10-11,13-22H2