4-butoxy-N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-ethoxy-benzamide

Systemtic Name: 4-butoxy-N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-ethoxy-benzamide Openeye Name: 4-butoxy-N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-3-ethoxy-benzamide CAS Name: 4-butoxy-N-[4-cyano-2-(4,8-dimethyl-2-quinolinyl)-3-pyrazolyl]-3-ethoxybenzamide IUPAC Name: 4-butoxy-N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-ethoxybenzamide Traditional Name: 4-butoxy-N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-3-ethoxy-benzamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3/c1-5-7-13-36-23-12-11-20(15-24(23)35-6-2)28(34)32-27-21(16-29)17-30-33(27)25-14-19(4)22-10-8-9-18(3)26(22)31-25/h8-12,14-15,17H,5-7,13H2,1-4H3,(H,32,34)