N-(3,4-dicyano-2-cyclopentyl-5-ethyl-3H-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(3,4-dicyano-2-cyclopentyl-5-ethyl-3H-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(3,4-dicyano-2-cyclopentyl-5-ethyl-3H-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(3,4-dicyano-2-cyclopentyl-5-ethyl-3H-pyrazol-4-yl)-4-quinolinecarboxamide IUPAC Name: N-(3,4-dicyano-2-cyclopentyl-5-ethyl-3H-pyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(4,5-dicyano-1-cyclopentyl-3-ethyl-2-pyrazolin-4-yl)cinchoninamide Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1(C#N)NC(=O)C2=CC=NC3=CC=CC=C23)C#N)C4CCCC4

Isomeric SMILES

CCC1=NN(C(C1(C#N)NC(=O)C2=CC=NC3=CC=CC=C23)C#N)C4CCCC4

InChI

InChI=1S/C22H22N6O/c1-2-19-22(14-24,20(13-23)28(27-19)15-7-3-4-8-15)26-21(29)17-11-12-25-18-10-6-5-9-16(17)18/h5-6,9-12,15,20H,2-4,7-8H2,1H3,(H,26,29)