N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]cyclohexanecarboxamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]cyclohexanecarboxamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]cyclohexanecarboxamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4CCCCC4

InChI

InChI=1S/C21H21N5O/c1-14-11-19(24-18-10-6-5-9-17(14)18)26-20(16(12-22)13-23-26)25-21(27)15-7-3-2-4-8-15/h5-6,9-11,13,15H,2-4,7-8H2,1H3,(H,25,27)