4-[(1H-benzimidazol-2-ylmethylamino)methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: 4-[(1H-benzimidazol-2-ylmethylamino)methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[(1H-benzimidazol-2-ylmethylamino)methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[(1H-benzimidazol-2-ylmethylamino)methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[(1H-benzimidazol-2-ylmethylamino)methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[(1H-benzimidazol-2-ylmethylamino)methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C23H17N5O2 MolecularWeight: 395.41338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNCC3=NC4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNCC3=NC4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=N5

InChI

InChI=1S/C23H17N5O2/c29-22-16-8-2-1-7-15(16)17(23(30)28(22)21-11-5-6-12-25-21)13-24-14-20-26-18-9-3-4-10-19(18)27-20/h1-13,24H,14H2,(H,26,27)