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

Systemtic Name: 4-methoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]-3-nitro-benzamide Formula: C26H25N7O4 MolecularWeight: 499.5212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N7O4/c1-17-14-24(31-10-12-32(13-11-31)26-27-8-3-9-28-26)30-21-6-5-19(16-20(17)21)29-25(34)18-4-7-23(37-2)22(15-18)33(35)36/h3-9,14-16H,10-13H2,1-2H3,(H,29,34)