2-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylidene)isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylidene)isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-pyridylmethylene)isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylidene)isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylmethylidene)isoquinoline-1,3-dione Traditional Name: 2-piperonyl-4-(4-pyridylmethylene)isoquinoline-1,3-quinone Formula: C23H16N2O4 MolecularWeight: 384.38414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CC5=CC=NC=C5)C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CC5=CC=NC=C5)C3=O

InChI

InChI=1S/C23H16N2O4/c26-22-18-4-2-1-3-17(18)19(11-15-7-9-24-10-8-15)23(27)25(22)13-16-5-6-20-21(12-16)29-14-28-20/h1-12H,13-14H2