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

Systemtic Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolinyl)-3-pyrazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H23N7O3 MolecularWeight: 481.50592

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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)N5CCCC5)[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)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N7O3/c1-16-6-5-7-20-17(2)12-23(29-24(16)20)32-25(19(14-27)15-28-32)30-26(34)18-8-9-21(22(13-18)33(35)36)31-10-3-4-11-31/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,30,34)