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

Systemtic Name: 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[4-(2-chloro-4-fluoro-benzyl)piperazino]-N-(4-nitrophenyl)propionamide Formula: C20H22ClFN4O3 MolecularWeight: 420.865083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN4O3/c21-19-13-16(22)2-1-15(19)14-25-11-9-24(10-12-25)8-7-20(27)23-17-3-5-18(6-4-17)26(28)29/h1-6,13H,7-12,14H2,(H,23,27)