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

Systemtic Name: 4-[2-(benzotriazol-2-yl)ethanoyl]-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[2-(benzotriazol-2-yl)acetyl]-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[2-(2-benzotriazolyl)-1-oxoethyl]-1-(4-oxanylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[2-(benzotriazol-2-yl)acetyl]-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[2-(benzotriazol-2-yl)acetyl]-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)CN3N=C4C=CC=CC4=N3)OCC5=CC=NC=C5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)CN3N=C4C=CC=CC4=N3)OCC5=CC=NC=C5

InChI

InChI=1S/C25H30N6O4/c32-24-16-30(25(33)17-31-27-22-3-1-2-4-23(22)28-31)15-21(35-18-20-5-9-26-10-6-20)14-29(24)13-19-7-11-34-12-8-19/h1-6,9-10,19,21H,7-8,11-18H2