4-[2-(benzotriazol-2-yl)ethanoyl]-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[2-(benzotriazol-2-yl)ethanoyl]-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[2-(benzotriazol-2-yl)acetyl]-1-benzyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[2-(2-benzotriazolyl)-1-oxoethyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[2-(benzotriazol-2-yl)acetyl]-1-benzyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[2-(benzotriazol-2-yl)acetyl]-1-benzyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H26N6O3 MolecularWeight: 470.52304

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)CN2N=C3C=CC=CC3=N2)CC4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)CN2N=C3C=CC=CC3=N2)CC4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C26H26N6O3/c33-25-17-31(26(34)18-32-28-23-10-4-5-11-24(23)29-32)16-22(35-19-21-9-6-12-27-13-21)15-30(25)14-20-7-2-1-3-8-20/h1-13,22H,14-19H2