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

Systemtic Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-morpholin-4-yl-pyrazole-3-carboxamide Openeye Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-morpholino-pyrazole-3-carboxamide CAS Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-(4-morpholinyl)-3-pyrazolecarboxamide IUPAC Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-morpholin-4-ylpyrazole-3-carboxamide Traditional Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-morpholino-pyrazole-3-carboxamide Formula: C21H16Cl2IN5O2 MolecularWeight: 568.19451

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=O)C2=NN(C(=C2C#N)C3=CC=C(C=C3)I)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1COCCN1NC(=O)C2=NN(C(=C2C#N)C3=CC=C(C=C3)I)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl2IN5O2/c22-14-3-6-18(17(23)11-14)29-20(13-1-4-15(24)5-2-13)16(12-25)19(26-29)21(30)27-28-7-9-31-10-8-28/h1-6,11H,7-10H2,(H,27,30)