1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]-3-phenyl-pyrrole-2,5-dione

Systemtic Name: 1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]-3-phenyl-pyrrole-2,5-dione Openeye Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3-phenyl-pyrrole-2,5-dione CAS Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpyrrole-2,5-dione IUPAC Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpyrrole-2,5-dione Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)methyl]phenyl]-3-phenyl-3-pyrroline-2,5-quinone Formula: C25H17N3O3 MolecularWeight: 407.42078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(C2=O)C3=CC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(C2=O)C3=CC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H17N3O3/c29-23-15-21(17-8-2-1-3-9-17)25(31)28(23)18-10-6-7-16(13-18)14-22-19-11-4-5-12-20(19)24(30)27-26-22/h1-13,15H,14H2,(H,27,30)