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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

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