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

Systemtic Name: 3-[4-butyl-3-oxidanylidene-4-(phenylmethyl)-1,2-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-(4-benzyl-4-butyl-3-oxo-hexahydropyridazin-1-yl)benzonitrile CAS Name: 3-[4-butyl-3-oxo-4-(phenylmethyl)-1-diazinanyl]benzonitrile IUPAC Name: 3-(4-benzyl-4-butyl-3-oxodiazinan-1-yl)benzonitrile Traditional Name: 3-(4-benzyl-4-butyl-3-keto-hexahydropyridazin-1-yl)benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCN(NC1=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1(CCN(NC1=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O/c1-2-3-12-22(16-18-8-5-4-6-9-18)13-14-25(24-21(22)26)20-11-7-10-19(15-20)17-23/h4-11,15H,2-3,12-14,16H2,1H3,(H,24,26)