3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[4-(2-chloro-4-fluoro-benzyl)piperazino]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C21H24ClFN4O3 MolecularWeight: 434.891663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN4O3/c1-15-12-18(27(29)30)4-5-20(15)24-21(28)6-7-25-8-10-26(11-9-25)14-16-2-3-17(23)13-19(16)22/h2-5,12-13H,6-11,14H2,1H3,(H,24,28)