2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]quinoline-4-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]quinoline-4-carboxamide Openeye Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]quinoline-4-carboxamide CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-4-quinolinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]quinoline-4-carboxamide Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]cinchoninamide Formula: C22H21N5O MolecularWeight: 371.43504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=NC4=CC=CC=C4C(=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=NC4=CC=CC=C4C(=C3)C(=O)N

InChI

InChI=1S/C22H21N5O/c1-14-19(15(2)27(26-14)16-8-4-3-5-9-16)13-24-21-12-18(22(23)28)17-10-6-7-11-20(17)25-21/h3-12H,13H2,1-2H3,(H2,23,28)(H,24,25)