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

Systemtic Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-phenoxy-benzamide Openeye Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-3-phenoxy-benzamide CAS Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolinyl)-3-pyrazolyl]-3-phenoxybenzamide IUPAC Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-phenoxybenzamide Traditional Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-3-phenoxy-benzamide Formula: C28H21N5O2 MolecularWeight: 459.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H21N5O2/c1-18-8-6-13-24-19(2)14-25(31-26(18)24)33-27(21(16-29)17-30-33)32-28(34)20-9-7-12-23(15-20)35-22-10-4-3-5-11-22/h3-15,17H,1-2H3,(H,32,34)