N-(1,3-benzodioxol-5-yl)-1-(8-nitroisoquinolin-5-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(8-nitroisoquinolin-5-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(8-nitro-5-isoquinolyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(8-nitro-5-isoquinolinyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(8-nitroisoquinolin-5-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(8-nitro-5-isoquinolyl)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)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

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