3-[[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl-methyl-amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl-methyl-amino]methyl]benzenecarbonitrile Openeye Name: 3-[[[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]methyl-methyl-amino]methyl]benzonitrile CAS Name: 3-[[[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]methyl-methylamino]methyl]benzonitrile IUPAC Name: 3-[[[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]methyl-methylamino]methyl]benzonitrile Traditional Name: 3-[[[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]methyl-methyl-amino]methyl]benzonitrile Formula: C26H24N4O MolecularWeight: 408.49496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O/c1-18-11-12-19(2)24(13-18)25-22-9-4-5-10-23(22)26(31)30(28-25)17-29(3)16-21-8-6-7-20(14-21)15-27/h4-14H,16-17H2,1-3H3