2-(4-chlorophenyl)carbonyl-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)benzamide

Systemtic Name: 2-(4-chlorophenyl)carbonyl-N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)benzamide Openeye Name: 2-(4-chlorobenzoyl)-N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]benzamide CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]benzamide IUPAC Name: 2-(4-chlorobenzoyl)-N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)benzamide Traditional Name: 2-(4-chlorobenzoyl)-N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]benzamide Formula: C27H16ClN5O2 MolecularWeight: 477.90124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)C4=CC=CC=C4C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)C4=CC=CC=C4C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H16ClN5O2/c28-20-12-9-18(10-13-20)25(34)21-6-2-3-7-22(21)27(35)32-26-19(15-29)16-30-33(26)24-14-11-17-5-1-4-8-23(17)31-24/h1-14,16H,(H,32,35)