3-[[3-[(3,5-dimethylphenyl)methyl]-6-oxidanylidene-pyridazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-[(3,5-dimethylphenyl)methyl]-6-oxidanylidene-pyridazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[(3,5-dimethylphenyl)methyl]-6-oxo-pyridazin-1-yl]methyl]benzonitrile CAS Name: 3-[[3-[(3,5-dimethylphenyl)methyl]-6-oxo-1-pyridazinyl]methyl]benzonitrile IUPAC Name: 3-[[3-[(3,5-dimethylphenyl)methyl]-6-oxopyridazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[3-(3,5-dimethylbenzyl)-6-keto-pyridazin-1-yl]methyl]benzonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2=NN(C(=O)C=C2)CC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2=NN(C(=O)C=C2)CC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C21H19N3O/c1-15-8-16(2)10-19(9-15)12-20-6-7-21(25)24(23-20)14-18-5-3-4-17(11-18)13-22/h3-11H,12,14H2,1-2H3