1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-N-pyridin-2-yl-piperidine-3-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-N-pyridin-2-yl-piperidine-3-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]-N-(2-pyridyl)piperidine-3-carboxamide CAS Name: 1-[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-N-(2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-3-carboxamide Traditional Name: 1-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]-N-(2-pyridyl)nipecotamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=N4

Isomeric SMILES

C1CC(CN(C1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C21H23N5O5/c27-19(25-21(29)23-15-6-7-16-17(10-15)31-13-30-16)12-26-9-3-4-14(11-26)20(28)24-18-5-1-2-8-22-18/h1-2,5-8,10,14H,3-4,9,11-13H2,(H,22,24,28)(H2,23,25,27,29)