3-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-4-nitro-benzamide

Systemtic Name: 3-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]-4-nitro-benzamide Formula: C26H25N7O3 MolecularWeight: 483.5218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H25N7O3/c1-17-15-24(31-10-12-32(13-11-31)26-27-8-3-9-28-26)30-22-6-5-20(16-21(17)22)29-25(34)19-4-7-23(33(35)36)18(2)14-19/h3-9,14-16H,10-13H2,1-2H3,(H,29,34)