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

Systemtic Name: 3-[4-butyl-4-(2-methylpropyl)-3-oxidanylidene-1,2-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-(4-butyl-4-isobutyl-3-oxo-hexahydropyridazin-1-yl)benzonitrile CAS Name: 3-[4-butyl-4-(2-methylpropyl)-3-oxo-1-diazinanyl]benzonitrile IUPAC Name: 3-[4-butyl-4-(2-methylpropyl)-3-oxodiazinan-1-yl]benzonitrile Traditional Name: 3-(4-butyl-4-isobutyl-3-keto-hexahydropyridazin-1-yl)benzonitrile Formula: C19H27N3O MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O/c1-4-5-9-19(13-15(2)3)10-11-22(21-18(19)23)17-8-6-7-16(12-17)14-20/h6-8,12,15H,4-5,9-11,13H2,1-3H3,(H,21,23)