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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-phenylphenyl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-phenylphenyl)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-phenylphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-phenylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: 4-(4-phenylbenzylidene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C30H21NO4 MolecularWeight: 459.49204

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CC5=CC=C(C=C5)C6=CC=CC=C6)C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CC5=CC=C(C=C5)C6=CC=CC=C6)C3=O

InChI

InChI=1S/C30H21NO4/c32-29-25-9-5-4-8-24(25)26(16-20-10-13-23(14-11-20)22-6-2-1-3-7-22)30(33)31(29)18-21-12-15-27-28(17-21)35-19-34-27/h1-17H,18-19H2