methyl 3-[2-oxidanylidene-4-(2-pyridin-3-ylethanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[2-oxidanylidene-4-(2-pyridin-3-ylethanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-4-[2-(3-pyridyl)acetyl]-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-[1-oxo-2-(3-pyridinyl)ethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-4-(2-pyridin-3-ylacetyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-4-[2-(3-pyridyl)acetyl]-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)CC2=CN=CC=C2)OCC3=CC=NC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)CC2=CN=CC=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C22H26N4O5/c1-30-22(29)6-10-25-13-19(31-16-17-4-8-23-9-5-17)14-26(15-21(25)28)20(27)11-18-3-2-7-24-12-18/h2-5,7-9,12,19H,6,10-11,13-16H2,1H3