N-[2-[[3-(2-methylpyrimidin-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[3-(2-methylpyrimidin-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[3-(2-methyl-4-pyrimidinyl)anilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[3-(2-methylpyrimidin-4-yl)anilino]ethyl]-piperonylamide Formula: C21H18N4O4 MolecularWeight: 390.39202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N4O4/c1-13-22-8-7-17(24-13)14-3-2-4-16(9-14)25-20(26)11-23-21(27)15-5-6-18-19(10-15)29-12-28-18/h2-10H,11-12H2,1H3,(H,23,27)(H,25,26)