N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(3-pyridyl)cinchoninamide Formula: C28H22FN7O MolecularWeight: 491.518983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NCCCC4=NN(C(=C4C#N)N)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NCCCC4=NN(C(=C4C#N)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H22FN7O/c29-19-9-11-20(12-10-19)36-27(31)23(16-30)25(35-36)8-4-14-33-28(37)22-15-26(18-5-3-13-32-17-18)34-24-7-2-1-6-21(22)24/h1-3,5-7,9-13,15,17H,4,8,14,31H2,(H,33,37)