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

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H21N7O3 MolecularWeight: 467.47934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N7O3/c1-16-12-23(28-20-7-3-2-6-19(16)20)31-24(18(14-26)15-27-31)29-25(33)17-8-9-21(22(13-17)32(34)35)30-10-4-5-11-30/h2-3,6-9,12-13,15H,4-5,10-11H2,1H3,(H,29,33)