1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-(quinolin-4-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-(quinolin-4-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-(2-pyridylmethoxy)-4-(4-quinolylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-4-(4-quinolinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-(quinolin-4-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-(2-pyridylmethoxy)-4-(4-quinolylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=NC4=CC=CC=C34)OCC5=CC=CC=N5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=NC4=CC=CC=C34)OCC5=CC=CC=N5

InChI

InChI=1S/C27H32N4O3/c32-27-19-30(16-22-8-12-29-26-7-2-1-6-25(22)26)17-24(34-20-23-5-3-4-11-28-23)18-31(27)15-21-9-13-33-14-10-21/h1-8,11-12,21,24H,9-10,13-20H2