N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-cyano-4-phenyl-piperidine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-cyano-4-phenyl-piperidine-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-cyano-4-phenyl-piperidine-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-cyano-4-phenyl-1-piperidinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-cyano-4-phenylpiperidine-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-cyano-4-phenyl-piperidine-1-carboxamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H22ClN3O3/c1-27-18-13-19(28-2)17(12-16(18)22)24-20(26)25-10-8-21(14-23,9-11-25)15-6-4-3-5-7-15/h3-7,12-13H,8-11H2,1-2H3,(H,24,26)