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

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C26H24N8O3 MolecularWeight: 496.52056

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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)N5CCN(CC5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-]

InChI

InChI=1S/C26H24N8O3/c1-17-13-24(29-21-6-4-3-5-20(17)21)33-25(19(15-27)16-28-33)30-26(35)18-7-8-22(23(14-18)34(36)37)32-11-9-31(2)10-12-32/h3-8,13-14,16H,9-12H2,1-2H3,(H,30,35)