3-(2-methylpropyl)-5-(3-oxidanylidene-1,2-diazinan-1-yl)benzenecarbonitrile

Systemtic Name: 3-(2-methylpropyl)-5-(3-oxidanylidene-1,2-diazinan-1-yl)benzenecarbonitrile Openeye Name: 3-isobutyl-5-(3-oxohexahydropyridazin-1-yl)benzonitrile CAS Name: 3-(2-methylpropyl)-5-(3-oxo-1-diazinanyl)benzonitrile IUPAC Name: 3-(2-methylpropyl)-5-(3-oxodiazinan-1-yl)benzonitrile Traditional Name: 3-isobutyl-5-(3-ketohexahydropyridazin-1-yl)benzonitrile Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=CC(=C1)C#N)N2CCCC(=O)N2

Isomeric SMILES

CC(C)CC1=CC(=CC(=C1)C#N)N2CCCC(=O)N2

InChI

InChI=1S/C15H19N3O/c1-11(2)6-12-7-13(10-16)9-14(8-12)18-5-3-4-15(19)17-18/h7-9,11H,3-6H2,1-2H3,(H,17,19)