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

Systemtic Name: 3-[3-oxidanylidene-4-(phenylmethyl)-1,2-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-(4-benzyl-3-oxo-hexahydropyridazin-1-yl)benzonitrile CAS Name: 3-[3-oxo-4-(phenylmethyl)-1-diazinanyl]benzonitrile IUPAC Name: 3-(4-benzyl-3-oxodiazinan-1-yl)benzonitrile Traditional Name: 3-(4-benzyl-3-keto-hexahydropyridazin-1-yl)benzonitrile Formula: C18H17N3O MolecularWeight: 291.34708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(NC(=O)C1CC2=CC=CC=C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(NC(=O)C1CC2=CC=CC=C2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H17N3O/c19-13-15-7-4-8-17(12-15)21-10-9-16(18(22)20-21)11-14-5-2-1-3-6-14/h1-8,12,16H,9-11H2,(H,20,22)