1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-4-(quinolin-5-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-4-(quinolin-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 1-benzyl-6-(3-pyridylmethoxy)-4-(5-quinolylmethyl)-1,4-diazepan-2-one CAS Name: 1-(phenylmethyl)-6-(3-pyridinylmethoxy)-4-(5-quinolinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-6-(pyridin-3-ylmethoxy)-4-(quinolin-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 1-benzyl-6-(3-pyridylmethoxy)-4-(5-quinolylmethyl)-1,4-diazepan-2-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1CC2=C3C=CC=NC3=CC=C2)CC4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1C(CN(C(=O)CN1CC2=C3C=CC=NC3=CC=C2)CC4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C28H28N4O2/c33-28-20-31(17-24-10-4-12-27-26(24)11-6-14-30-27)18-25(34-21-23-9-5-13-29-15-23)19-32(28)16-22-7-2-1-3-8-22/h1-15,25H,16-21H2