1,3-bis[2-(4-chlorophenyl)ethyl]-5-cyano-1,3-diazinane-5-carboxylic acid

Systemtic Name: 1,3-bis[2-(4-chlorophenyl)ethyl]-5-cyano-1,3-diazinane-5-carboxylic acid Openeye Name: 1,3-bis[2-(4-chlorophenyl)ethyl]-5-cyano-hexahydropyrimidine-5-carboxylic acid CAS Name: 1,3-bis[2-(4-chlorophenyl)ethyl]-5-cyano-1,3-diazinane-5-carboxylic acid IUPAC Name: 1,3-bis[2-(4-chlorophenyl)ethyl]-5-cyano-1,3-diazinane-5-carboxylic acid Traditional Name: 1,3-bis[2-(4-chlorophenyl)ethyl]-5-cyano-hexahydropyrimidine-5-carboxylic acid Formula: C22H23Cl2N3O2 MolecularWeight: 432.34292

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CN1CCC2=CC=C(C=C2)Cl)CCC3=CC=C(C=C3)Cl)(C#N)C(=O)O

Isomeric SMILES

C1C(CN(CN1CCC2=CC=C(C=C2)Cl)CCC3=CC=C(C=C3)Cl)(C#N)C(=O)O

InChI

InChI=1S/C22H23Cl2N3O2/c23-19-5-1-17(2-6-19)9-11-26-14-22(13-25,21(28)29)15-27(16-26)12-10-18-3-7-20(24)8-4-18/h1-8H,9-12,14-16H2,(H,28,29)