4-butoxy-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-ethoxy-benzamide

Systemtic Name: 4-butoxy-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-ethoxy-benzamide Openeye Name: 4-butoxy-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3-ethoxy-benzamide CAS Name: 4-butoxy-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-3-ethoxybenzamide IUPAC Name: 4-butoxy-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-ethoxybenzamide Traditional Name: 4-butoxy-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3-ethoxy-benzamide Formula: C27H27N5O3 MolecularWeight: 469.53498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C(=C3)C)C#N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C(=C3)C)C#N)OCC

InChI

InChI=1S/C27H27N5O3/c1-4-6-13-35-23-12-11-19(15-24(23)34-5-2)27(33)31-26-20(16-28)17-29-32(26)25-14-18(3)21-9-7-8-10-22(21)30-25/h7-12,14-15,17H,4-6,13H2,1-3H3,(H,31,33)