3-phenylazanyl-4-phenylimino-1-pyridin-2-yl-1H-[1,2,4]triazino[1,2-b]phthalazine-6,11-dione

Systemtic Name: 3-phenylazanyl-4-phenylimino-1-pyridin-2-yl-1H-[1,2,4]triazino[1,2-b]phthalazine-6,11-dione Openeye Name: 3-anilino-4-phenylimino-1-(2-pyridyl)-1H-[1,2,4]triazino[1,2-b]phthalazine-6,11-dione CAS Name: 3-anilino-4-phenylimino-1-(2-pyridinyl)-1H-[1,2,4]triazino[1,2-b]phthalazine-6,11-dione IUPAC Name: 3-anilino-4-phenylimino-1-pyridin-2-yl-1H-[1,2,4]triazino[1,2-b]phthalazine-6,11-dione Traditional Name: 3-anilino-4-phenylimino-1-(2-pyridyl)-1H-[1,2,4]triazino[1,2-b]phthalazine-6,11-quinone Formula: C28H20N6O2 MolecularWeight: 472.4974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(N3C(=O)C4=CC=CC=C4C(=O)N3C2=NC5=CC=CC=C5)C6=CC=CC=N6

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(N3C(=O)C4=CC=CC=C4C(=O)N3C2=NC5=CC=CC=C5)C6=CC=CC=N6

InChI

InChI=1S/C28H20N6O2/c35-27-21-15-7-8-16-22(21)28(36)34-26(31-20-13-5-2-6-14-20)24(30-19-11-3-1-4-12-19)32-25(33(27)34)23-17-9-10-18-29-23/h1-18,25H,(H,30,32)