4-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl]-N-(4-methoxyphenyl)benzamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H20N4O3/c1-14-15(2)25-26(22(28)20(14)12-23)13-16-4-6-17(7-5-16)21(27)24-18-8-10-19(29-3)11-9-18/h4-11H,13H2,1-3H3,(H,24,27)