N-(1,3-benzodioxol-5-yl)-1-[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxo-pyridazine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-keto-pyridazine-3-carbonyl)isonipecotamide Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O5/c30-23-9-7-20(27-29(23)15-17-4-2-1-3-5-17)25(32)28-12-10-18(11-13-28)24(31)26-19-6-8-21-22(14-19)34-16-33-21/h1-9,14,18H,10-13,15-16H2,(H,26,31)