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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(4-keto-3H-phthalazine-1-carbonyl)isonipecotamide Formula: C22H20N4O5 MolecularWeight: 420.418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O5/c27-20(23-14-5-6-17-18(11-14)31-12-30-17)13-7-9-26(10-8-13)22(29)19-15-3-1-2-4-16(15)21(28)25-24-19/h1-6,11,13H,7-10,12H2,(H,23,27)(H,25,28)