(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-acetyl-N-piperonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4/c1-13(23)22-11-16-5-3-2-4-15(16)9-17(22)20(24)21-10-14-6-7-18-19(8-14)26-12-25-18/h2-8,17H,9-12H2,1H3,(H,21,24)/t17-/m1/s1