2-chloranyl-N-fluoranyl-3-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]carbonylamino]-5-(3-morpholin-4-ylphenyl)benzamide

Systemtic Name: 2-chloranyl-N-fluoranyl-3-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]carbonylamino]-5-(3-morpholin-4-ylphenyl)benzamide Openeye Name: 2-chloro-N-fluoro-3-[[5-(4-methylpiperazin-1-yl)-2-nitro-benzoyl]amino]-5-(3-morpholinophenyl)benzamide CAS Name: 2-chloro-N-fluoro-3-[[[5-(4-methyl-1-piperazinyl)-2-nitrophenyl]-oxomethyl]amino]-5-[3-(4-morpholinyl)phenyl]benzamide IUPAC Name: 2-chloro-N-fluoro-3-[[5-(4-methylpiperazin-1-yl)-2-nitrobenzoyl]amino]-5-(3-morpholin-4-ylphenyl)benzamide Traditional Name: 2-chloro-N-fluoro-3-[[5-(4-methylpiperazino)-2-nitro-benzoyl]amino]-5-(3-morpholinophenyl)benzamide Formula: C29H30ClFN6O5 MolecularWeight: 597.037103

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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(=C3Cl)C(=O)NF)C4=CC(=CC=C4)N5CCOCC5

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC(=C3Cl)C(=O)NF)C4=CC(=CC=C4)N5CCOCC5

InChI

InChI=1S/C29H30ClFN6O5/c1-34-7-9-35(10-8-34)22-5-6-26(37(40)41)23(18-22)28(38)32-25-17-20(16-24(27(25)30)29(39)33-31)19-3-2-4-21(15-19)36-11-13-42-14-12-36/h2-6,15-18H,7-14H2,1H3,(H,32,38)(H,33,39)