N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-4-pyrrol-1-yl-benzamide CAS Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolinyl)-3-pyrazolyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-4-pyrrol-1-yl-benzamide Formula: C26H20N6O MolecularWeight: 432.4766

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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=C(C=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C26H20N6O/c1-17-6-5-7-22-18(2)14-23(29-24(17)22)32-25(20(15-27)16-28-32)30-26(33)19-8-10-21(11-9-19)31-12-3-4-13-31/h3-14,16H,1-2H3,(H,30,33)