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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-propyl-piperazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-propyl-piperazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-propylpiperazine-1-carboxamide Traditional Name: 3-[2-keto-2-(piperonylamino)ethyl]-N-propyl-piperazine-1-carboxamide Formula: C18H26N4O4 MolecularWeight: 362.42344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCNC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H26N4O4/c1-2-5-20-18(24)22-7-6-19-14(11-22)9-17(23)21-10-13-3-4-15-16(8-13)26-12-25-15/h3-4,8,14,19H,2,5-7,9-12H2,1H3,(H,20,24)(H,21,23)