2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethylphenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethylphenyl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethylphenyl)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethylphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: 4-(4-ethylbenzylidene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C26H21NO4 MolecularWeight: 411.44924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21NO4/c1-2-17-7-9-18(10-8-17)13-22-20-5-3-4-6-21(20)25(28)27(26(22)29)15-19-11-12-23-24(14-19)31-16-30-23/h3-14H,2,15-16H2,1H3