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

Systemtic Name: 3-[4-(3-oxidanylbutyl)-3-oxidanylidene-4-(4-oxidanylidenebutyl)-1,2-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(3-hydroxybutyl)-3-oxo-4-(4-oxobutyl)hexahydropyridazin-1-yl]benzonitrile CAS Name: 3-[4-(3-hydroxybutyl)-3-oxo-4-(4-oxobutyl)-1-diazinanyl]benzonitrile IUPAC Name: 3-[4-(3-hydroxybutyl)-3-oxo-4-(4-oxobutyl)diazinan-1-yl]benzonitrile Traditional Name: 3-[4-(3-hydroxybutyl)-3-keto-4-(4-ketobutyl)hexahydropyridazin-1-yl]benzonitrile Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1(CCN(NC1=O)C2=CC=CC(=C2)C#N)CCCC=O)O

Isomeric SMILES

CC(CCC1(CCN(NC1=O)C2=CC=CC(=C2)C#N)CCCC=O)O

InChI

InChI=1S/C19H25N3O3/c1-15(24)7-9-19(8-2-3-12-23)10-11-22(21-18(19)25)17-6-4-5-16(13-17)14-20/h4-6,12-13,15,24H,2-3,7-11H2,1H3,(H,21,25)