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

Systemtic Name: methyl 3-[4-(1-ethylpiperidin-2-yl)carbonyl-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(1-ethylpiperidine-2-carbonyl)-2-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(1-ethyl-2-piperidinyl)-oxomethyl]-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1-ethylpiperidine-2-carbonyl)-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(1-ethylpipecoloyl)-2-keto-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C23H34N4O5 MolecularWeight: 446.53986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCC1C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC=NC=C3

Isomeric SMILES

CCN1CCCCC1C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC=NC=C3

InChI

InChI=1S/C23H34N4O5/c1-3-25-12-5-4-6-20(25)23(30)27-15-19(32-17-18-7-10-24-11-8-18)14-26(21(28)16-27)13-9-22(29)31-2/h7-8,10-11,19-20H,3-6,9,12-17H2,1-2H3