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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-imidazol-1-ylphenyl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-imidazol-1-ylphenyl)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1-imidazolyl)phenyl]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-imidazol-1-ylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: 4-(4-imidazol-1-ylbenzylidene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C27H19N3O4 MolecularWeight: 449.45746

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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)N6C=CN=C6)C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CC5=CC=C(C=C5)N6C=CN=C6)C3=O

InChI

InChI=1S/C27H19N3O4/c31-26-22-4-2-1-3-21(22)23(13-18-5-8-20(9-6-18)29-12-11-28-16-29)27(32)30(26)15-19-7-10-24-25(14-19)34-17-33-24/h1-14,16H,15,17H2