N-(2-cyanoethyl)-2,5-bis(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-2,5-bis(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-(2-cyanoethyl)-2,5-bis(4-fluorophenyl)-N-(3-pyridylmethyl)pyrazole-3-carboxamide CAS Name: N-(2-cyanoethyl)-2,5-bis(4-fluorophenyl)-N-(3-pyridinylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-2,5-bis(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-(2-cyanoethyl)-2,5-bis(4-fluorophenyl)-N-(3-pyridylmethyl)pyrazole-3-carboxamide Formula: C25H19F2N5O MolecularWeight: 443.448066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H19F2N5O/c26-20-6-4-19(5-7-20)23-15-24(32(30-23)22-10-8-21(27)9-11-22)25(33)31(14-2-12-28)17-18-3-1-13-29-16-18/h1,3-11,13,15-16H,2,14,17H2