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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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