4-(3-chloranyl-4-cyano-phenyl)-N-(6-cyanopyridin-3-yl)-2,5-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-(3-chloranyl-4-cyano-phenyl)-N-(6-cyanopyridin-3-yl)-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: 4-(3-chloro-4-cyano-phenyl)-N-(6-cyano-3-pyridyl)-2,5-dimethyl-piperazine-1-carboxamide CAS Name: 4-(3-chloro-4-cyanophenyl)-N-(6-cyano-3-pyridinyl)-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-(3-chloro-4-cyanophenyl)-N-(6-cyanopyridin-3-yl)-2,5-dimethylpiperazine-1-carboxamide Traditional Name: 4-(3-chloro-4-cyano-phenyl)-N-(6-cyano-3-pyridyl)-2,5-dimethyl-piperazine-1-carboxamide Formula: C20H19ClN6O MolecularWeight: 394.85746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CN=C(C=C2)C#N)C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1CN(C(CN1C(=O)NC2=CN=C(C=C2)C#N)C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H19ClN6O/c1-13-12-27(20(28)25-17-5-4-16(9-23)24-10-17)14(2)11-26(13)18-6-3-15(8-22)19(21)7-18/h3-7,10,13-14H,11-12H2,1-2H3,(H,25,28)