2-(4-chlorophenyl)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(2-cyanoethyl)-5-phenyl-N-(3-pyridylmethyl)pyrazole-3-carboxamide CAS Name: 2-(4-chlorophenyl)-N-(2-cyanoethyl)-5-phenyl-N-(3-pyridinylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(2-cyanoethyl)-5-phenyl-N-(3-pyridylmethyl)pyrazole-3-carboxamide Formula: C25H20ClN5O MolecularWeight: 441.9122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)N(CCC#N)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)N(CCC#N)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN5O/c26-21-9-11-22(12-10-21)31-24(16-23(29-31)20-7-2-1-3-8-20)25(32)30(15-5-13-27)18-19-6-4-14-28-17-19/h1-4,6-12,14,16-17H,5,15,18H2