4-chloranyl-N-fluoranyl-3-[[5-[methyl-[3-(methylamino)propyl]amino]-2-nitro-phenyl]carbonylamino]-5-(3-morpholin-4-ylphenyl)benzamide

Systemtic Name: 4-chloranyl-N-fluoranyl-3-[[5-[methyl-[3-(methylamino)propyl]amino]-2-nitro-phenyl]carbonylamino]-5-(3-morpholin-4-ylphenyl)benzamide Openeye Name: 4-chloro-N-fluoro-3-[[5-[methyl-[3-(methylamino)propyl]amino]-2-nitro-benzoyl]amino]-5-(3-morpholinophenyl)benzamide CAS Name: 4-chloro-N-fluoro-3-[[[5-[methyl-[3-(methylamino)propyl]amino]-2-nitrophenyl]-oxomethyl]amino]-5-[3-(4-morpholinyl)phenyl]benzamide IUPAC Name: 4-chloro-N-fluoro-3-[[5-[methyl-[3-(methylamino)propyl]amino]-2-nitrobenzoyl]amino]-5-(3-morpholin-4-ylphenyl)benzamide Traditional Name: 4-chloro-N-fluoro-3-[[5-[methyl-[3-(methylamino)propyl]amino]-2-nitro-benzoyl]amino]-5-(3-morpholinophenyl)benzamide Formula: C29H32ClFN6O5 MolecularWeight: 599.052983

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCN(C)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C(=CC(=C2)C(=O)NF)C3=CC(=CC=C3)N4CCOCC4)Cl

Isomeric SMILES

CNCCCN(C)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C(=CC(=C2)C(=O)NF)C3=CC(=CC=C3)N4CCOCC4)Cl

InChI

InChI=1S/C29H32ClFN6O5/c1-32-9-4-10-35(2)21-7-8-26(37(40)41)24(18-21)29(39)33-25-17-20(28(38)34-31)16-23(27(25)30)19-5-3-6-22(15-19)36-11-13-42-14-12-36/h3,5-8,15-18,32H,4,9-14H2,1-2H3,(H,33,39)(H,34,38)