4-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H20ClN5O2/c1-20(2)16(24)22-7-5-21(6-8-22)11-15(23)19-13-4-3-12(10-18)14(17)9-13/h3-4,9H,5-8,11H2,1-2H3,(H,19,23)