4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-piperidin-1-yl-pyrazole-3-carboxamide

Systemtic Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-piperidin-1-yl-pyrazole-3-carboxamide Openeye Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-(1-piperidyl)pyrazole-3-carboxamide CAS Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-(1-piperidinyl)-3-pyrazolecarboxamide IUPAC Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide Traditional Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-piperidino-pyrazole-3-carboxamide Formula: C22H18Cl2IN5O MolecularWeight: 566.22169

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)C2=NN(C(=C2C#N)C3=CC=C(C=C3)I)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)NC(=O)C2=NN(C(=C2C#N)C3=CC=C(C=C3)I)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2IN5O/c23-15-6-9-19(18(24)12-15)30-21(14-4-7-16(25)8-5-14)17(13-26)20(27-30)22(31)28-29-10-2-1-3-11-29/h4-9,12H,1-3,10-11H2,(H,28,31)