4-butoxy-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-3-ethoxy-benzamide

Systemtic Name: 4-butoxy-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-3-ethoxy-benzamide Openeye Name: 4-butoxy-N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3-ethoxy-benzamide CAS Name: 4-butoxy-N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-3-ethoxybenzamide IUPAC Name: 4-butoxy-N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-3-ethoxybenzamide Traditional Name: 4-butoxy-N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3-ethoxy-benzamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O3/c1-3-5-14-34-22-12-10-19(15-23(22)33-4-2)26(32)30-25-20(16-27)17-28-31(25)24-13-11-18-8-6-7-9-21(18)29-24/h6-13,15,17H,3-5,14H2,1-2H3,(H,30,32)