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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(2-fluorobenzyl)piperazino]propionamide Formula: C20H22ClFN4O3 MolecularWeight: 420.865083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)CC3=CC=CC=C3F

InChI

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