N-[3-(dimethylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C21H27N5O MolecularWeight: 365.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(C)C

InChI

InChI=1S/C21H27N5O/c1-14-20(15(2)26(5)24-14)19-13-17(16-9-6-7-10-18(16)23-19)21(27)22-11-8-12-25(3)4/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,22,27)