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

Systemtic Name: 3-[[3-(4-aminophenyl)-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-(4-aminophenyl)-2-oxo-hexahydropyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[3-(4-aminophenyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[3-(4-aminophenyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile Traditional Name: 3-[[3-(4-aminophenyl)-2-keto-hexahydropyrimidin-1-yl]methyl]benzonitrile Formula: C18H18N4O MolecularWeight: 306.36172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)N)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)N)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H18N4O/c19-12-14-3-1-4-15(11-14)13-21-9-2-10-22(18(21)23)17-7-5-16(20)6-8-17/h1,3-8,11H,2,9-10,13,20H2