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

Systemtic Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolinyl)-3-pyrazolyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-4-morpholino-3-nitro-benzamide Formula: C26H23N7O4 MolecularWeight: 497.50532

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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)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N7O4/c1-16-4-3-5-20-17(2)12-23(29-24(16)20)32-25(19(14-27)15-28-32)30-26(34)18-6-7-21(22(13-18)33(35)36)31-8-10-37-11-9-31/h3-7,12-13,15H,8-11H2,1-2H3,(H,30,34)