4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)-3-nitro-benzamide Openeye Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-fluoro-4-methyl-phenyl)-3-nitro-benzamide CAS Name: 4-[4-(2-chlorophenyl)-1-piperazinyl]-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide Traditional Name: 4-[4-(2-chlorophenyl)piperazino]-N-(3-fluoro-4-methyl-phenyl)-3-nitro-benzamide Formula: C24H22ClFN4O3 MolecularWeight: 468.907883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl)[N+](=O)[O-])F

InChI

InChI=1S/C24H22ClFN4O3/c1-16-6-8-18(15-20(16)26)27-24(31)17-7-9-22(23(14-17)30(32)33)29-12-10-28(11-13-29)21-5-3-2-4-19(21)25/h2-9,14-15H,10-13H2,1H3,(H,27,31)