3-[4-(3-oxidanylbutyl)-3-oxidanylidene-1,2-diazinan-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(3-oxidanylbutyl)-3-oxidanylidene-1,2-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(3-hydroxybutyl)-3-oxo-hexahydropyridazin-1-yl]benzonitrile CAS Name: 3-[4-(3-hydroxybutyl)-3-oxo-1-diazinanyl]benzonitrile IUPAC Name: 3-[4-(3-hydroxybutyl)-3-oxodiazinan-1-yl]benzonitrile Traditional Name: 3-[4-(3-hydroxybutyl)-3-keto-hexahydropyridazin-1-yl]benzonitrile Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1CCN(NC1=O)C2=CC=CC(=C2)C#N)O

Isomeric SMILES

CC(CCC1CCN(NC1=O)C2=CC=CC(=C2)C#N)O

InChI

InChI=1S/C15H19N3O2/c1-11(19)5-6-13-7-8-18(17-15(13)20)14-4-2-3-12(9-14)10-16/h2-4,9,11,13,19H,5-8H2,1H3,(H,17,20)