N-(1,3-benzodioxol-5-yl)-1-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3-phenyl-phthalazine-1-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3-phenylphthalazine-1-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(4-keto-3-phenyl-phthalazine-1-carbonyl)isonipecotamide Formula: C28H24N4O5 MolecularWeight: 496.51396

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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)C5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C28H24N4O5/c33-26(29-19-10-11-23-24(16-19)37-17-36-23)18-12-14-31(15-13-18)28(35)25-21-8-4-5-9-22(21)27(34)32(30-25)20-6-2-1-3-7-20/h1-11,16,18H,12-15,17H2,(H,29,33)