4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxidanylidene-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxidanylidene-N-propyl-piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxo-N-propyl-piperazine-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxo-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-keto-2-methyl-N-propyl-piperazine-1-carboxamide Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(C(=O)C1C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCNC(=O)N1CCN(C(=O)C1C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O4/c1-3-6-17-16(21)18-7-8-19(15(20)11(18)2)12-4-5-13-14(9-12)23-10-22-13/h4-5,9,11H,3,6-8,10H2,1-2H3,(H,17,21)