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

Systemtic Name: methyl 3-[4-(2-chloranylpyridin-4-yl)carbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(2-chloropyridine-4-carbonyl)-2-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(2-chloro-4-pyridinyl)-oxomethyl]-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-chloropyridine-4-carbonyl)-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(2-chloroisonicotinoyl)-2-keto-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C21H23ClN4O5 MolecularWeight: 446.88412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O5/c1-30-20(28)5-9-25-11-17(31-14-15-2-6-23-7-3-15)12-26(13-19(25)27)21(29)16-4-8-24-18(22)10-16/h2-4,6-8,10,17H,5,9,11-14H2,1H3