N-[4-[4-(4-methoxyquinolin-2-yl)carbonylpiperazin-1-yl]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[4-(4-methoxyquinolin-2-yl)carbonylpiperazin-1-yl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[4-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-piperazinyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazin-1-yl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[4-(4-methoxyquinoline-2-carbonyl)piperazino]phenyl]-3,5-dinitro-benzamide Formula: C28H24N6O7 MolecularWeight: 556.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCN(CC3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCN(CC3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H24N6O7/c1-41-26-17-25(30-24-5-3-2-4-23(24)26)28(36)32-12-10-31(11-13-32)20-8-6-19(7-9-20)29-27(35)18-14-21(33(37)38)16-22(15-18)34(39)40/h2-9,14-17H,10-13H2,1H3,(H,29,35)