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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C25H22N8O3 MolecularWeight: 482.49398

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)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/C25H22N8O3/c1-30-10-12-31(13-11-30)21-8-6-18(14-22(21)33(35)36)25(34)29-24-19(15-26)16-27-32(24)23-9-7-17-4-2-3-5-20(17)28-23/h2-9,14,16H,10-13H2,1H3,(H,29,34)