4-[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]methyl]benzonitrile CAS Name: 4-[[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]methyl]benzonitrile Formula: C24H19N3O MolecularWeight: 365.42716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H19N3O/c1-16-7-8-17(2)22(13-16)23-20-5-3-4-6-21(20)24(28)27(26-23)15-19-11-9-18(14-25)10-12-19/h3-13H,15H2,1-2H3