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

Systemtic Name: methyl 3-[2-oxidanylidene-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-3-ylpropanoyl)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-6-(4-pyridylmethoxy)-4-[3-(3-pyridyl)propanoyl]-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-[1-oxo-3-(3-pyridinyl)propyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-3-ylpropanoyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-(4-pyridylmethoxy)-4-[3-(3-pyridyl)propanoyl]-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)CCC2=CN=CC=C2)OCC3=CC=NC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)CCC2=CN=CC=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C23H28N4O5/c1-31-23(30)8-12-26-14-20(32-17-19-6-10-24-11-7-19)15-27(16-22(26)29)21(28)5-4-18-3-2-9-25-13-18/h2-3,6-7,9-11,13,20H,4-5,8,12,14-17H2,1H3