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

Systemtic Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(quinolin-4-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(4-quinolylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-6-phenylmethoxy-4-(4-quinolinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(quinolin-4-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(4-quinolylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=NC4=CC=CC=C34)OCC5=CC=CC=C5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=NC4=CC=CC=C34)OCC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O3/c32-28-20-30(17-24-10-13-29-27-9-5-4-8-26(24)27)18-25(34-21-23-6-2-1-3-7-23)19-31(28)16-22-11-14-33-15-12-22/h1-10,13,22,25H,11-12,14-21H2