1-(3H-benzimidazol-5-ylcarbonyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3H-benzimidazol-5-ylcarbonyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Openeye Name: 1-(3H-benzimidazole-5-carbonyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide CAS Name: 1-[3H-benzimidazol-5-yl(oxo)methyl]-N-(1,3-benzodioxol-5-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3H-benzimidazole-5-carbonyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Traditional Name: 1-(3H-benzimidazole-5-carbonyl)-N-(1,3-benzodioxol-5-yl)isonipecotamide Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C21H20N4O4/c26-20(24-15-2-4-18-19(10-15)29-12-28-18)13-5-7-25(8-6-13)21(27)14-1-3-16-17(9-14)23-11-22-16/h1-4,9-11,13H,5-8,12H2,(H,22,23)(H,24,26)