3-[4,5-dimethyl-3-oxidanylidene-4-(3-oxidanylidenebutyl)-1,2-diazinan-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4,5-dimethyl-3-oxidanylidene-4-(3-oxidanylidenebutyl)-1,2-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-[4,5-dimethyl-3-oxo-4-(3-oxobutyl)hexahydropyridazin-1-yl]benzonitrile CAS Name: 3-[4,5-dimethyl-3-oxo-4-(3-oxobutyl)-1-diazinanyl]benzonitrile IUPAC Name: 3-[4,5-dimethyl-3-oxo-4-(3-oxobutyl)diazinan-1-yl]benzonitrile Traditional Name: 3-[3-keto-4-(3-ketobutyl)-4,5-dimethyl-hexahydropyridazin-1-yl]benzonitrile Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(NC(=O)C1(C)CCC(=O)C)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1CN(NC(=O)C1(C)CCC(=O)C)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H21N3O2/c1-12-11-20(15-6-4-5-14(9-15)10-18)19-16(22)17(12,3)8-7-13(2)21/h4-6,9,12H,7-8,11H2,1-3H3,(H,19,22)