4-[[(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione Openeye Name: 4-[[(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)amino]methylene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione CAS Name: 4-[[(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-dione Traditional Name: 4-[[(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)amino]methylene]-2-(3,4-dimethylphenyl)isoquinoline-1,3-quinone Formula: C28H21ClN4O3 MolecularWeight: 496.94434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl)C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl)C2=O)C

InChI

InChI=1S/C28H21ClN4O3/c1-17-12-13-20(14-18(17)2)32-26(34)22-11-7-6-10-21(22)23(27(32)35)15-30-24-16-31-33(28(36)25(24)29)19-8-4-3-5-9-19/h3-16,30H,1-2H3