1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl-methyl-amino]ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl-methyl-amino]ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl-methyl-amino]ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-[(3-fluorophenyl)methyl-methylamino]ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl-methylamino]ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-[(3-fluorobenzyl)-methyl-amino]ethanone Formula: C20H22ClFN4O3 MolecularWeight: 420.865083

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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