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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-methylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methylanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methylanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-(o-toluidinomethylene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C25H20N2O4 MolecularWeight: 412.4373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O4/c1-16-6-2-5-9-21(16)26-13-20-18-7-3-4-8-19(18)24(28)27(25(20)29)14-17-10-11-22-23(12-17)31-15-30-22/h2-13,26H,14-15H2,1H3