N-(1,3-benzodioxol-5-ylmethyl)-4-ethanoyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethanoyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-3-ethyl-5-methyl-N-piperonyl-1H-pyrrole-2-carboxamide Formula: C18H20N2O4 MolecularWeight: 328.3624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O4/c1-4-13-16(11(3)21)10(2)20-17(13)18(22)19-8-12-5-6-14-15(7-12)24-9-23-14/h5-7,20H,4,8-9H2,1-3H3,(H,19,22)