3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[4-(2-chloro-6-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=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=C(C=CC=C3Cl)F

InChI

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