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

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazino]-N-(2-nitrophenyl)propionamide Formula: C20H22ClFN4O3 MolecularWeight: 420.865083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN4O3/c1-14(20(27)23-18-4-2-3-5-19(18)26(28)29)25-10-8-24(9-11-25)13-15-6-7-16(22)12-17(15)21/h2-7,12,14H,8-11,13H2,1H3,(H,23,27)