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

Systemtic Name: methyl 3-[2-oxidanylidene-4-pyridin-2-ylcarbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-4-(pyridine-2-carbonyl)-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-[oxo(2-pyridinyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-4-(pyridine-2-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-4-picolinoyl-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2=CC=CC=N2)OCC3=CC=NC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2=CC=CC=N2)OCC3=CC=NC=C3

InChI

InChI=1S/C21H24N4O5/c1-29-20(27)7-11-24-12-17(30-15-16-5-9-22-10-6-16)13-25(14-19(24)26)21(28)18-4-2-3-8-23-18/h2-6,8-10,17H,7,11-15H2,1H3