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

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C21H24ClFN4O3 MolecularWeight: 434.891663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN4O3/c1-14-3-6-18(27(29)30)12-20(14)24-21(28)15(2)26-9-7-25(8-10-26)13-16-4-5-17(23)11-19(16)22/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,24,28)