N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3,4,5-triethoxy-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3,4,5-triethoxy-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3,4,5-triethoxybenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3,4,5-triethoxy-benzamide Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C(=C3)C)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C(=C3)C)C#N

InChI

InChI=1S/C27H27N5O4/c1-5-34-22-13-18(14-23(35-6-2)25(22)36-7-3)27(33)31-26-19(15-28)16-29-32(26)24-12-17(4)20-10-8-9-11-21(20)30-24/h8-14,16H,5-7H2,1-4H3,(H,31,33)