(5-bromanyl-2-chloranyl-phenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-chloranyl-phenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (5-bromo-2-chloro-phenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-chlorophenyl)-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-chlorophenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-bromo-2-chloro-phenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazino]methanone Formula: C21H22BrClN4O4 MolecularWeight: 509.78078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C21H22BrClN4O4/c22-15-1-3-18(23)17(13-15)21(28)26-7-5-24(6-8-26)16-2-4-19(27(29)30)20(14-16)25-9-11-31-12-10-25/h1-4,13-14H,5-12H2