N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H19N7O3 MolecularWeight: 453.45276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H19N7O3/c25-14-18-15-26-30(22-10-8-16-5-1-2-6-19(16)27-22)23(18)28-24(32)17-7-9-20(21(13-17)31(33)34)29-11-3-4-12-29/h1-2,5-10,13,15H,3-4,11-12H2,(H,28,32)