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

Systemtic Name: 5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-morpholin-4-yl-pyrazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-morpholino-pyrazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-(4-morpholinyl)-3-pyrazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-morpholino-pyrazole-3-carboxamide Formula: C21H16BrCl2N5O2 MolecularWeight: 521.19404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrCl2N5O2/c22-14-3-1-13(2-4-14)20-16(12-25)19(21(30)27-28-7-9-31-10-8-28)26-29(20)18-6-5-15(23)11-17(18)24/h1-6,11H,7-10H2,(H,27,30)