2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazino]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H24ClFN4O4 MolecularWeight: 450.891063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN4O4/c1-14(21(28)24-19-12-17(27(29)30)5-6-20(19)31-2)26-9-7-25(8-10-26)13-15-3-4-16(23)11-18(15)22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,28)