(4S)-4-(1H-benzimidazol-2-ylmethyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-(1H-benzimidazol-2-ylmethyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(1H-benzimidazol-2-ylmethyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-(1H-benzimidazol-2-ylmethyliminomethyl)-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(1H-benzimidazol-2-ylmethyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(1H-benzimidazol-2-ylmethyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C23H17N5O2 MolecularWeight: 395.41338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC=CC=N3)C=NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=N3)C=NCC4=NC5=CC=CC=C5N4

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/h1-13,17H,14H2,(H,26,27)/t17-/m1/s1