1-(6-chloranylpyridazin-3-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(6-chloropyridazin-3-yl)isonipecotamide Formula: C19H19ClN4O4 MolecularWeight: 402.83156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)C4=NN=C(C=C4)Cl)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)C4=NN=C(C=C4)Cl)OCO2

InChI

InChI=1S/C19H19ClN4O4/c1-11(25)13-8-15-16(28-10-27-15)9-14(13)21-19(26)12-4-6-24(7-5-12)18-3-2-17(20)22-23-18/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,26)