4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]butyramide Formula: C26H19BrN6O3 MolecularWeight: 543.37146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)CCCN4C(=O)C5=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)CCCN4C(=O)C5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C26H19BrN6O3/c1-15-11-22(30-21-6-3-2-5-18(15)21)33-24(16(13-28)14-29-33)31-23(34)7-4-10-32-25(35)19-9-8-17(27)12-20(19)26(32)36/h2-3,5-6,8-9,11-12,14H,4,7,10H2,1H3,(H,31,34)