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

Systemtic Name: methyl 3-[4-(6-methylpyridin-2-yl)carbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(6-methylpyridine-2-carbonyl)-2-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(6-methyl-2-pyridinyl)-oxomethyl]-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(6-methylpyridine-2-carbonyl)-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-4-(6-methylpicolinoyl)-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:

CC1=CC=CC(=N1)C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC=NC=C3

InChI

InChI=1S/C22H26N4O5/c1-16-4-3-5-19(24-16)22(29)26-13-18(31-15-17-6-9-23-10-7-17)12-25(20(27)14-26)11-8-21(28)30-2/h3-7,9-10,18H,8,11-15H2,1-2H3