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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(2,4-dimethylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2,4-dimethylanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2,4-dimethylanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2,4-dimethylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(2,4-dimethylanilino)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H22N2O4/c1-16-7-9-22(17(2)11-16)27-13-21-19-5-3-4-6-20(19)25(29)28(26(21)30)14-18-8-10-23-24(12-18)32-15-31-23/h3-13,27H,14-15H2,1-2H3