N-[3-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide

Systemtic Name: N-[3-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide Openeye Name: N-[3-[[5-(4-methylpiperazin-1-yl)-2-nitro-benzoyl]amino]phenyl]-2-morpholino-pyridine-4-carboxamide CAS Name: N-[3-[[[5-(4-methyl-1-piperazinyl)-2-nitrophenyl]-oxomethyl]amino]phenyl]-2-(4-morpholinyl)-4-pyridinecarboxamide IUPAC Name: N-[3-[[5-(4-methylpiperazin-1-yl)-2-nitrobenzoyl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide Traditional Name: N-[3-[[5-(4-methylpiperazino)-2-nitro-benzoyl]amino]phenyl]-2-morpholino-isonicotinamide Formula: C28H31N7O5 MolecularWeight: 545.58964

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC(=NC=C4)N5CCOCC5

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC(=NC=C4)N5CCOCC5

InChI

InChI=1S/C28H31N7O5/c1-32-9-11-33(12-10-32)23-5-6-25(35(38)39)24(19-23)28(37)31-22-4-2-3-21(18-22)30-27(36)20-7-8-29-26(17-20)34-13-15-40-16-14-34/h2-8,17-19H,9-16H2,1H3,(H,30,36)(H,31,37)