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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-phenyl-1,2,3-triazol-4-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-phenyltriazol-4-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-phenyl-4-triazolyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-phenyltriazol-4-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(2-phenyltriazol-4-yl)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C26H18N4O4 MolecularWeight: 450.44552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N4O4/c31-25-21-9-5-4-8-20(21)22(13-18-14-27-30(28-18)19-6-2-1-3-7-19)26(32)29(25)15-17-10-11-23-24(12-17)34-16-33-23/h1-14H,15-16H2