3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-1-piperazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide Traditional Name: N-(3,4-dichlorophenyl)-3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxamide Formula: C21H22Cl2N4O4 MolecularWeight: 465.32978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC(N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O4/c22-16-3-2-14(8-17(16)23)26-21(29)27-6-5-24-15(11-27)9-20(28)25-10-13-1-4-18-19(7-13)31-12-30-18/h1-4,7-8,15,24H,5-6,9-12H2,(H,25,28)(H,26,29)