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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(3-ethanoylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 4-[(3-acetylanilino)methylene]-2-(1,3-benzodioxol-5-ylmethyl)isoquinoline-1,3-dione CAS Name: 4-[(3-acetylanilino)methylidene]-2-(1,3-benzodioxol-5-ylmethyl)isoquinoline-1,3-dione IUPAC Name: 4-[(3-acetylanilino)methylidene]-2-(1,3-benzodioxol-5-ylmethyl)isoquinoline-1,3-dione Traditional Name: 4-[(3-acetylanilino)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O5/c1-16(29)18-5-4-6-19(12-18)27-13-22-20-7-2-3-8-21(20)25(30)28(26(22)31)14-17-9-10-23-24(11-17)33-15-32-23/h2-13,27H,14-15H2,1H3