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

Systemtic Name: 4-[(4R,5R)-5-(4-chlorophenyl)carbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]benzenecarbonitrile Openeye Name: 4-[(4R,5R)-5-(4-chlorobenzoyl)-6-methylene-2-oxo-hexahydropyrimidin-4-yl]benzonitrile CAS Name: 4-[(4R,5R)-5-[(4-chlorophenyl)-oxomethyl]-6-methylene-2-oxo-1,3-diazinan-4-yl]benzonitrile IUPAC Name: 4-[(4R,5R)-5-(4-chlorobenzoyl)-6-methylidene-2-oxo-1,3-diazinan-4-yl]benzonitrile Traditional Name: 4-[(4R,5R)-5-(4-chlorobenzoyl)-2-keto-6-methylene-hexahydropyrimidin-4-yl]benzonitrile Formula: C19H14ClN3O2 MolecularWeight: 351.78636

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O2/c1-11-16(18(24)14-6-8-15(20)9-7-14)17(23-19(25)22-11)13-4-2-12(10-21)3-5-13/h2-9,16-17H,1H2,(H2,22,23,25)/t16-,17-/m0/s1