5,6-dimethyl-3-oxidanylidene-2-[(2-phenoxyphenyl)methyl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[(2-phenoxyphenyl)methyl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-oxo-2-[(2-phenoxyphenyl)methyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-oxo-2-[(2-phenoxyphenyl)methyl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-oxo-2-[(2-phenoxyphenyl)methyl]pyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-(2-phenoxybenzyl)pyridazine-4-carbonitrile Formula: C20H17N3O2 MolecularWeight: 331.36788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC2=CC=CC=C2OC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC2=CC=CC=C2OC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3O2/c1-14-15(2)22-23(20(24)18(14)12-21)13-16-8-6-7-11-19(16)25-17-9-4-3-5-10-17/h3-11H,13H2,1-2H3