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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-ethoxyphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethoxyanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethoxyanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethoxyanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-piperonyl-4-(p-phenetidinomethylene)isoquinoline-1,3-quinone Formula: C26H22N2O5 MolecularWeight: 442.46328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H22N2O5/c1-2-31-19-10-8-18(9-11-19)27-14-22-20-5-3-4-6-21(20)25(29)28(26(22)30)15-17-7-12-23-24(13-17)33-16-32-23/h3-14,27H,2,15-16H2,1H3