4-[(4R,5S)-6-methylidene-2-oxidanylidene-5-(phenylcarbonyl)-1,3-diazinan-4-yl]benzenecarbonitrile

Systemtic Name: 4-[(4R,5S)-6-methylidene-2-oxidanylidene-5-(phenylcarbonyl)-1,3-diazinan-4-yl]benzenecarbonitrile Openeye Name: 4-[(4R,5S)-5-benzoyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl]benzonitrile CAS Name: 4-[(4R,5S)-5-benzoyl-6-methylene-2-oxo-1,3-diazinan-4-yl]benzonitrile IUPAC Name: 4-[(4R,5S)-5-benzoyl-6-methylidene-2-oxo-1,3-diazinan-4-yl]benzonitrile Traditional Name: 4-[(4R,5S)-5-benzoyl-2-keto-6-methylene-hexahydropyrimidin-4-yl]benzonitrile Formula: C19H15N3O2 MolecularWeight: 317.3413

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=O)N1)C2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H15N3O2/c1-12-16(18(23)15-5-3-2-4-6-15)17(22-19(24)21-12)14-9-7-13(11-20)8-10-14/h2-10,16-17H,1H2,(H2,21,22,24)/t16-,17+/m1/s1